CID 434207

2-(diphenylphosphino)benzenesulfonic acid

Structural Information

Molecular Formula
C18H15O3PS
SMILES
C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3S(=O)(=O)O
InChI
InChI=1S/C18H15O3PS/c19-23(20,21)18-14-8-7-13-17(18)22(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14H,(H,19,20,21)
InChIKey
HXVJDHROZFWXHT-UHFFFAOYSA-N
Compound name
2-diphenylphosphanylbenzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

687
Patents

342.04794 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.05522 173.7
[M+Na]+ 365.03716 188.2
[M+NH4]+ 360.08176 181.7
[M+K]+ 381.01110 179.2
[M-H]- 341.04066 179.1
[M+Na-2H]- 363.02261 184.5
[M]+ 342.04739 177.9
[M]- 342.04849 177.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe