CID 156887

O,s-dimethyl phenylphosphonothioate

Structural Information

Molecular Formula
C8H11O2PS
SMILES
COP(=O)(C1=CC=CC=C1)SC
InChI
InChI=1S/C8H11O2PS/c1-10-11(9,12-2)8-6-4-3-5-7-8/h3-7H,1-2H3
InChIKey
MCOMPSJPKYWWFY-UHFFFAOYSA-N
Compound name
[methoxy(methylsulfanyl)phosphoryl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.02174 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.029016 140.5
[M+Na]+ 225.010958 148.5
[M-H]- 201.014464 143.4
[M+NH4]+ 220.055563 160.8
[M+K]+ 240.984898 146.6
[M+H-H2O]+ 185.019000 132.6
[M+HCOO]- 247.019941 164.8
[M+CH3COO]- 261.035591 182.7
[M+Na-2H]- 222.996406 142.9
[M]+ 202.02119142 145.0
[M]- 202.02228858 145.0
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.