PubChemLite - Dtxsid80895375 (C23H25F23)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCC(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

InChI

InChI=1S/C23H25F23/c1-2-3-4-5-6-7-8-9-10-11-12-13(24,25)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)46/h2-12H2,1H3

InChIKey

ZGZDVAOEZGHLSU-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-tricosafluorotricosane

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]+	739.16618	216.8
[M+Na]+	761.14812	219.7
[M-H]-	737.15162	222.7
[M+NH4]+	756.19272	227.0
[M+K]+	777.12206	235.1
[M+H-H2O]+	721.15616	202.9
[M+HCOO]-	783.15710	232.8
[M+CH3COO]-	797.17275	273.1
[M+Na-2H]-	759.13357	213.7
[M]+	738.15835	214.9
[M]-	738.15945	214.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

739.16618

216.8

[M+Na]+

761.14812

219.7

[M-H]-

737.15162

222.7

[M+NH4]+

756.19272

227.0

[M+K]+

777.12206

235.1

[M+H-H2O]+

721.15616

202.9

[M+HCOO]-

783.15710

232.8

[M+CH3COO]-

797.17275

273.1

[M+Na-2H]-

759.13357

213.7

[M]+

738.15835

214.9

[M]-

738.15945

214.9

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

Dtxsid80895375

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe