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-pentacosafluorohexacosane (C26H29F25)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCCCC(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/C26H29F25/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(27,28)16(29,30)17(31,32)18(33,34)19(35,36)20(37,38)21(39,40)22(41,42)23(43,44)24(45,46)25(47,48)26(49,50)51/h2-14H2,1H3

InChIKey

OUASUHCMZXPMCH-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-pentacosafluorohexacosane

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]+	817.194276	229.5
[M+Na]+	839.176218	231.6
[M-H]-	815.179724	236.1
[M+NH4]+	834.220823	240.2
[M+K]+	855.150158	248.6
[M+H-H2O]+	799.184260	215.1
[M+HCOO]-	861.185201	244.4
[M+CH3COO]-	875.200851	280.9
[M+Na-2H]-	837.161666	226.3
[M]+	816.18645142	227.5
[M]-	816.18754858	227.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

817.194276

229.5

[M+Na]+

839.176218

231.6

[M-H]-

815.179724

236.1

[M+NH4]+

834.220823

240.2

[M+K]+

855.150158

248.6

[M+H-H2O]+

799.184260

215.1

[M+HCOO]-

861.185201

244.4

[M+CH3COO]-

875.200851

280.9

[M+Na-2H]-

837.161666

226.3

[M]+

816.18645142

227.5

[M]-

816.18754858

227.5

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-pentacosafluorohexacosane

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe