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]+ 203.02902 140.5
[M+Na]+ 225.01096 148.5
[M-H]- 201.01446 143.4
[M+NH4]+ 220.05556 160.8
[M+K]+ 240.98490 146.6
[M+H-H2O]+ 185.01900 132.6
[M+HCOO]- 247.01994 164.8
[M+CH3COO]- 261.03559 182.7
[M+Na-2H]- 222.99641 142.9
[M]+ 202.02119 145.0
[M]- 202.02229 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.