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]+	775.147376	220.0
[M+Na]+	797.129318	222.5
[M-H]-	773.132824	227.2
[M+NH4]+	792.173923	230.7
[M+K]+	813.103258	238.7
[M+H-H2O]+	757.137360	205.8
[M+HCOO]-	819.138301	235.7
[M+CH3COO]-	833.153951	275.4
[M+Na-2H]-	795.114766	217.8
[M]+	774.13955142	218.0
[M]-	774.14064858	218.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

775.147376

220.0

[M+Na]+

797.129318

222.5

[M-H]-

773.132824

227.2

[M+NH4]+

792.173923

230.7

[M+K]+

813.103258

238.7

[M+H-H2O]+

757.137360

205.8

[M+HCOO]-

819.138301

235.7

[M+CH3COO]-

833.153951

275.4

[M+Na-2H]-

795.114766

217.8

[M]+

774.13955142

218.0

[M]-

774.14064858

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