PubChemLite - Dtxsid20895399 (C23H23F25)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCC(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/C23H23F25/c1-2-3-4-5-6-7-8-9-10-11-12(24,25)13(26,27)14(28,29)15(30,31)16(32,33)17(34,35)18(36,37)19(38,39)20(40,41)21(42,43)22(44,45)23(46,47)48/h2-11H2,1H3

InChIKey

RTCMPAJWKUGKPP-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-pentacosafluorotricosane

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]+	775.14738	220.0
[M+Na]+	797.12932	222.5
[M-H]-	773.13282	227.2
[M+NH4]+	792.17392	230.7
[M+K]+	813.10326	238.7
[M+H-H2O]+	757.13736	205.8
[M+HCOO]-	819.13830	235.7
[M+CH3COO]-	833.15395	275.4
[M+Na-2H]-	795.11477	217.8
[M]+	774.13955	218.0
[M]-	774.14065	218.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

775.14738

220.0

[M+Na]+

797.12932

222.5

[M-H]-

773.13282

227.2

[M+NH4]+

792.17392

230.7

[M+K]+

813.10326

238.7

[M+H-H2O]+

757.13736

205.8

[M+HCOO]-

819.13830

235.7

[M+CH3COO]-

833.15395

275.4

[M+Na-2H]-

795.11477

217.8

[M]+

774.13955

218.0

[M]-

774.14065

218.0

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

Dtxsid20895399

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe