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]+ 252.92525 141.3
[M+Na]+ 274.90719 150.1
[M-H]- 250.91069 140.3
[M+NH4]+ 269.95179 160.3
[M+K]+ 290.88113 146.7
[M+H-H2O]+ 234.91523 137.6
[M+HCOO]- 296.91617 152.6
[M+CH3COO]- 310.93182 185.5
[M+Na-2H]- 272.89264 143.1
[M]+ 251.91742 148.6
[M]- 251.91852 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.