CID 24858129

9h-fluorene-2-sulfonic acid, 9-(dicyclohexylphosphino)-9-[3-(4-sulfophenyl)propyl]-, sulfate (1:1)

Structural Information

Molecular Formula
C34H41O6PS2
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

compound 2d structure
1
Annotation Hits

0
References

34
Patents

640.2082 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 641.21548 238.4
[M+Na]+ 663.19742 237.0
[M-H]- 639.20092 244.0
[M+NH4]+ 658.24202 242.8
[M+K]+ 679.17136 232.4
[M+H-H2O]+ 623.20546 228.2
[M+HCOO]- 685.20640 241.1
[M+CH3COO]- 699.22205 255.3
[M+Na-2H]- 661.18287 237.1
[M]+ 640.20765 235.2
[M]- 640.20875 235.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe