PubChemLite - 1039775-34-2 (C34H41O6PS2)

Structural Information

Molecular Formula

SMILES

C1CCC(CC1)P(C2CCCCC2)C3(C4=CC=CC=C4C5=C3C=C(C=C5)S(=O)(=O)O)CCCC6=CC=C(C=C6)S(=O)(=O)O

InChI

InChI=1S/C34H41O6PS2/c35-42(36,37)28-19-17-25(18-20-28)10-9-23-34(41(26-11-3-1-4-12-26)27-13-5-2-6-14-27)32-16-8-7-15-30(32)31-22-21-29(24-33(31)34)43(38,39)40/h7-8,15-22,24,26-27H,1-6,9-14,23H2,(H,35,36,37)(H,38,39,40)

InChIKey

SQHWKPNZXIWOCK-UHFFFAOYSA-N

Compound name

9-dicyclohexylphosphanyl-9-[3-(4-sulfophenyl)propyl]fluorene-2-sulfonic acid

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]+	641.21548	231.3
[M+Na]+	663.19742	239.2
[M+NH4]+	658.24202	238.1
[M+K]+	679.17136	230.3
[M-H]-	639.20092	235.7
[M+Na-2H]-	661.18287	238.9
[M]+	640.20765	234.6
[M]-	640.20875	234.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

641.21548

231.3

[M+Na]+

663.19742

239.2

[M+NH4]+

658.24202

238.1

[M+K]+

679.17136

230.3

[M-H]-

639.20092

235.7

[M+Na-2H]-

661.18287

238.9

[M]+

640.20765

234.6

[M]-

640.20875

234.6

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

1039775-34-2

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe