CID 198370

O,s-dimethyl methylphosphonothioate

Structural Information

Molecular Formula
C3H9O2PS
SMILES
COP(=O)(C)SC
InChI
InChI=1S/C3H9O2PS/c1-5-6(2,4)7-3/h1-3H3
InChIKey
XXJOBAQYIIOHIP-UHFFFAOYSA-N
Compound name
[methyl(methylsulfanyl)phosphoryl]oxymethane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

18
Patents

140.00609 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.01337 125.3
[M+Na]+ 162.99531 133.9
[M-H]- 138.99881 125.3
[M+NH4]+ 158.03991 148.3
[M+K]+ 178.96925 133.9
[M+H-H2O]+ 123.00335 118.9
[M+HCOO]- 185.00429 149.3
[M+CH3COO]- 199.01994 172.4
[M+Na-2H]- 160.98076 127.5
[M]+ 140.00554 130.7
[M]- 140.00664 130.7
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