CID 475359

2-dimethoxyphosphinothioylacetic acid

Structural Information

Molecular Formula
C4H9O4PS
SMILES
COP(=S)(CC(=O)O)OC
InChI
InChI=1S/C4H9O4PS/c1-7-9(10,8-2)3-4(5)6/h3H2,1-2H3,(H,5,6)
InChIKey
MDQVTWHWSVXSKK-UHFFFAOYSA-N
Compound name
2-dimethoxyphosphinothioylacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

183.99591 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.00319 135.2
[M+Na]+ 206.98513 142.6
[M-H]- 182.98863 133.5
[M+NH4]+ 202.02973 155.4
[M+K]+ 222.95907 142.1
[M+H-H2O]+ 166.99317 128.5
[M+HCOO]- 228.99411 157.0
[M+CH3COO]- 243.00976 176.5
[M+Na-2H]- 204.97058 135.9
[M]+ 183.99536 140.5
[M]- 183.99646 140.5
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

patents stripe