CID 475361

Chloro-(dimethoxy-thiophosphoryl)-acetic acid

Structural Information

Molecular Formula
C4H8ClO4PS
SMILES
COP(=S)(C(C(=O)O)Cl)OC
InChI
InChI=1S/C4H8ClO4PS/c1-8-10(11,9-2)3(5)4(6)7/h3H,1-2H3,(H,6,7)
InChIKey
RRTRDWYPTLHGQM-UHFFFAOYSA-N
Compound name
2-chloro-2-dimethoxyphosphinothioylacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.95694 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.96422 137.1
[M+Na]+ 240.94616 145.0
[M-H]- 216.94966 135.9
[M+NH4]+ 235.99076 156.8
[M+K]+ 256.92010 143.1
[M+H-H2O]+ 200.95420 131.9
[M+HCOO]- 262.95514 153.7
[M+CH3COO]- 276.97079 181.2
[M+Na-2H]- 238.93161 136.9
[M]+ 217.95639 143.6
[M]- 217.95749 143.6
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.