CID 475362

Dichloro-(dimethoxy-thiophosphoryl)-acetic acid

Structural Information

Molecular Formula
C4H7Cl2O4PS
SMILES
COP(=S)(C(C(=O)O)(Cl)Cl)OC
InChI
InChI=1S/C4H7Cl2O4PS/c1-9-11(12,10-2)4(5,6)3(7)8/h1-2H3,(H,7,8)
InChIKey
QYTBPCDVPMXTJQ-UHFFFAOYSA-N
Compound name
2,2-dichloro-2-dimethoxyphosphinothioylacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.91797 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.925246 141.3
[M+Na]+ 274.907188 150.1
[M-H]- 250.910694 140.3
[M+NH4]+ 269.951793 160.3
[M+K]+ 290.881128 146.7
[M+H-H2O]+ 234.915230 137.6
[M+HCOO]- 296.916171 152.6
[M+CH3COO]- 310.931821 185.5
[M+Na-2H]- 272.892636 143.1
[M]+ 251.91742142 148.6
[M]- 251.91851858 148.6
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.