CID 475367

Thiophosphonoacetic acid

Structural Information

Molecular Formula
C2H5O4PS
SMILES
C(C(=O)O)P(=S)(O)O
InChI
InChI=1S/C2H5O4PS/c3-2(4)1-7(5,6)8/h1H2,(H,3,4)(H2,5,6,8)
InChIKey
KUUMDZYFBMADNM-UHFFFAOYSA-N
Compound name
2-dihydroxyphosphinothioylacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1594
Patents

155.96461 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.97189 128.2
[M+Na]+ 178.95383 135.4
[M-H]- 154.95733 123.8
[M+NH4]+ 173.99843 147.8
[M+K]+ 194.92777 133.5
[M+H-H2O]+ 138.96187 122.2
[M+HCOO]- 200.96281 147.5
[M+CH3COO]- 214.97846 165.4
[M+Na-2H]- 176.93928 128.7
[M]+ 155.96406 128.8
[M]- 155.96516 128.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe