Dtxsid80895436 (C25H27F25)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCCC(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/C25H27F25/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(26,27)15(28,29)16(30,31)17(32,33)18(34,35)19(36,37)20(38,39)21(40,41)22(42,43)23(44,45)24(46,47)25(48,49)50/h2-13H2,1H3

InChIKey

GZEBVBMBNYOLPJ-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-pentacosafluoropentacosane

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]+	803.178576	226.3
[M+Na]+	825.160518	228.6
[M-H]-	801.164024	233.1
[M+NH4]+	820.205123	237.1
[M+K]+	841.134458	245.3
[M+H-H2O]+	785.168560	212.0
[M+HCOO]-	847.169501	241.5
[M+CH3COO]-	861.185151	279.1
[M+Na-2H]-	823.145966	223.5
[M]+	802.17075142	224.3
[M]-	802.17184858	224.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

803.178576

226.3

[M+Na]+

825.160518

228.6

[M-H]-

801.164024

233.1

[M+NH4]+

820.205123

237.1

[M+K]+

841.134458

245.3

[M+H-H2O]+

785.168560

212.0

[M+HCOO]-

847.169501

241.5

[M+CH3COO]-

861.185151

279.1

[M+Na-2H]-

823.145966

223.5

[M]+

802.17075142

224.3

[M]-

802.17184858

224.3

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

Dtxsid80895436

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe