PubChemLite - 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]+	951.07818	237.4
[M+Na]+	973.06012	238.7
[M-H]-	949.06362	247.8
[M+NH4]+	968.10472	248.7
[M+K]+	989.03406	255.6
[M+H-H2O]+	933.06816	224.2
[M+HCOO]-	995.06910	250.8
[M+CH3COO]-	1009.0848	280.8
[M+Na-2H]-	971.04557	238.9
[M]+	950.07035	233.3
[M]-	950.07145	233.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

951.07818

237.4

[M+Na]+

973.06012

238.7

[M-H]-

949.06362

247.8

[M+NH4]+

968.10472

248.7

[M+K]+

989.03406

255.6

[M+H-H2O]+

933.06816

224.2

[M+HCOO]-

995.06910

250.8

[M+CH3COO]-

1009.0848

280.8

[M+Na-2H]-

971.04557

238.9

[M]+

950.07035

233.3

[M]-

950.07145

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