CID 174595

Phenylphosphonothioic acid o-methyl o-(p-(methylsulfonyl)phenyl) ester

Structural Information

Molecular Formula
C14H15O4PS2
SMILES
COP(=S)(C1=CC=CC=C1)OC2=CC=C(C=C2)S(=O)(=O)C
InChI
InChI=1S/C14H15O4PS2/c1-17-19(20,13-6-4-3-5-7-13)18-12-8-10-14(11-9-12)21(2,15)16/h3-11H,1-2H3
InChIKey
WUPOBAMMIUNUNI-UHFFFAOYSA-N
Compound name
methoxy-(4-methylsulfonylphenoxy)-phenyl-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.01492 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.02220 171.9
[M+Na]+ 365.00414 179.5
[M-H]- 341.00764 177.3
[M+NH4]+ 360.04874 186.1
[M+K]+ 380.97808 174.8
[M+H-H2O]+ 325.01218 162.1
[M+HCOO]- 387.01312 189.8
[M+CH3COO]- 401.02877 204.7
[M+Na-2H]- 362.98959 173.5
[M]+ 342.01437 177.1
[M]- 342.01547 177.1
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

No patent data available for this compound.