CID 184006

Ethylphosphonothioic acid o,s-dimethyl ester

Structural Information

Molecular Formula
C4H11O2PS
SMILES
CCP(=O)(OC)SC
InChI
InChI=1S/C4H11O2PS/c1-4-7(5,6-2)8-3/h4H2,1-3H3
InChIKey
ZEOAMTWWLDATMW-UHFFFAOYSA-N
Compound name
1-[methoxy(methylsulfanyl)phosphoryl]ethane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

154.02174 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.029016 130.0
[M+Na]+ 177.010958 138.1
[M-H]- 153.014464 129.8
[M+NH4]+ 172.055563 152.4
[M+K]+ 192.984898 137.9
[M+H-H2O]+ 137.019000 123.4
[M+HCOO]- 199.019941 153.7
[M+CH3COO]- 213.035591 175.4
[M+Na-2H]- 174.996406 131.7
[M]+ 154.02119142 135.7
[M]- 154.02228858 135.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.