CID 6451898

O,s-dimethyl hydrogen phosphorothioate

Structural Information

Molecular Formula
C2H7O3PS
SMILES
COP(=O)(O)SC
InChI
InChI=1S/C2H7O3PS/c1-5-6(3,4)7-2/h1-2H3,(H,3,4)
InChIKey
UBRYVVDAYNKOOR-UHFFFAOYSA-N
Compound name
methoxy(methylsulfanyl)phosphinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

59
Patents

141.98535 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.99263 124.7
[M+Na]+ 164.97457 133.1
[M-H]- 140.97807 123.3
[M+NH4]+ 160.01917 146.8
[M+K]+ 180.94851 132.8
[M+H-H2O]+ 124.98261 118.5
[M+HCOO]- 186.98355 147.8
[M+CH3COO]- 200.99920 168.6
[M+Na-2H]- 162.96002 127.2
[M]+ 141.98480 129.2
[M]- 141.98590 129.2
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