CID 116062

O-ethyl s-(p-tolyl) phosphorothioate

Structural Information

Molecular Formula
C9H13O3PS
SMILES
CCOP(=O)(O)SC1=CC=C(C=C1)C
InChI
InChI=1S/C9H13O3PS/c1-3-12-13(10,11)14-9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3,(H,10,11)
InChIKey
PPAVHHVBWSUYDY-UHFFFAOYSA-N
Compound name
ethoxy-(4-methylphenyl)sulfanylphosphinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.0323 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.039576 148.3
[M+Na]+ 255.021518 156.0
[M-H]- 231.025024 149.8
[M+NH4]+ 250.066123 166.8
[M+K]+ 270.995458 153.5
[M+H-H2O]+ 215.029560 140.4
[M+HCOO]- 277.030501 170.9
[M+CH3COO]- 291.046151 186.2
[M+Na-2H]- 253.006966 149.3
[M]+ 232.03175142 153.1
[M]- 232.03284858 153.1
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.