CID 120320

Phosphonothioic acid, methyl-, o,o-dimethyl ester

Structural Information

Molecular Formula
C3H9O2PS
SMILES
COP(=S)(C)OC
InChI
InChI=1S/C3H9O2PS/c1-4-6(3,7)5-2/h1-3H3
InChIKey
BHFOAIMSKFAWOU-UHFFFAOYSA-N
Compound name
dimethoxy-methyl-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

298
Patents

140.00609 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.013366 125.3
[M+Na]+ 162.995308 133.9
[M-H]- 138.998814 125.3
[M+NH4]+ 158.039913 148.3
[M+K]+ 178.969248 133.9
[M+H-H2O]+ 123.003350 118.9
[M+HCOO]- 185.004291 149.3
[M+CH3COO]- 199.019941 172.4
[M+Na-2H]- 160.980756 127.5
[M]+ 140.00554142 130.7
[M]- 140.00663858 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