1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,17,17,18,18,19,19,20,20,21,21,22,22,23,23,24,24,24-tetratriacontafluorotetracosane (C24H16F34)

Structural Information

Molecular Formula

SMILES

C(CCCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C24H16F34/c25-9(26,11(29,30)13(33,34)15(37,38)17(41,42)19(45,46)21(49,50)23(53,54)55)7-5-3-1-2-4-6-8-10(27,28)12(31,32)14(35,36)16(39,40)18(43,44)20(47,48)22(51,52)24(56,57)58/h1-8H2

InChIKey

ZMQIJLTXHUSDCM-UHFFFAOYSA-N

Compound name

1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,17,17,18,18,19,19,20,20,21,21,22,22,23,23,24,24,24-tetratriacontafluorotetracosane

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	951.078176	237.4
[M+Na]+	973.060118	238.7
[M-H]-	949.063624	247.8
[M+NH4]+	968.104723	248.7
[M+K]+	989.034058	255.6
[M+H-H2O]+	933.068160	224.2
[M+HCOO]-	995.069101	250.8
[M+CH3COO]-	1009.084751	280.8
[M+Na-2H]-	971.045566	238.9
[M]+	950.07035142	233.3
[M]-	950.07144858	233.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

951.078176

237.4

[M+Na]+

973.060118

238.7

[M-H]-

949.063624

247.8

[M+NH4]+

968.104723

248.7

[M+K]+

989.034058

255.6

[M+H-H2O]+

933.068160

224.2

[M+HCOO]-

995.069101

250.8

[M+CH3COO]-

1009.084751

280.8

[M+Na-2H]-

971.045566

238.9

[M]+

950.07035142

233.3

[M]-

950.07144858

233.3

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,17,17,18,18,19,19,20,20,21,21,22,22,23,23,24,24,24-tetratriacontafluorotetracosane

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe