1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-pentacosafluorotetracosane (C24H25F25)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCC(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C24H25F25/c1-2-3-4-5-6-7-8-9-10-11-12-13(25,26)14(27,28)15(29,30)16(31,32)17(33,34)18(35,36)19(37,38)20(39,40)21(41,42)22(43,44)23(45,46)24(47,48)49/h2-12H2,1H3

InChIKey

CNQSTXRQMOWWFI-UHFFFAOYSA-N

Compound name

1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-pentacosafluorotetracosane

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]+	789.162976	223.2
[M+Na]+	811.144918	225.6
[M-H]-	787.148424	230.2
[M+NH4]+	806.189523	233.9
[M+K]+	827.118858	242.0
[M+H-H2O]+	771.152960	208.9
[M+HCOO]-	833.153901	238.6
[M+CH3COO]-	847.169551	277.2
[M+Na-2H]-	809.130366	220.7
[M]+	788.15515142	221.2
[M]-	788.15624858	221.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

789.162976

223.2

[M+Na]+

811.144918

225.6

[M-H]-

787.148424

230.2

[M+NH4]+

806.189523

233.9

[M+K]+

827.118858

242.0

[M+H-H2O]+

771.152960

208.9

[M+HCOO]-

833.153901

238.6

[M+CH3COO]-

847.169551

277.2

[M+Na-2H]-

809.130366

220.7

[M]+

788.15515142

221.2

[M]-

788.15624858

221.2

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

1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-pentacosafluorotetracosane

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe