CID 451471

Thiophosphonoformic acid

Structural Information

Molecular Formula
CH3O4PS
SMILES
C(=O)(O)P(=S)(O)O
InChI
InChI=1S/CH3O4PS/c2-1(3)6(4,5)7/h(H,2,3)(H2,4,5,7)
InChIKey
OSIAURSWRZARKZ-UHFFFAOYSA-N
Compound name
dihydroxyphosphinothioylformic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

356
Patents

141.94896 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.95624 123.6
[M+Na]+ 164.93818 131.2
[M-H]- 140.94168 119.3
[M+NH4]+ 159.98278 143.8
[M+K]+ 180.91212 129.6
[M+H-H2O]+ 124.94622 117.8
[M+HCOO]- 186.94716 143.2
[M+CH3COO]- 200.96281 162.3
[M+Na-2H]- 162.92363 124.6
[M]+ 141.94841 123.8
[M]- 141.94951 123.8
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