CID 14035

Methylacethion

Structural Information

Molecular Formula
C6H13O4PS2
SMILES
CCOC(=O)CSP(=S)(OC)OC
InChI
InChI=1S/C6H13O4PS2/c1-4-10-6(7)5-13-11(12,8-2)9-3/h4-5H2,1-3H3
InChIKey
PRVILYHTKPODNZ-UHFFFAOYSA-N
Compound name
ethyl 2-dimethoxyphosphinothioylsulfanylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.99928 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.00656 147.6
[M+Na]+ 266.98850 153.9
[M-H]- 242.99200 146.5
[M+NH4]+ 262.03310 165.9
[M+K]+ 282.96244 152.2
[M+H-H2O]+ 226.99654 139.5
[M+HCOO]- 288.99748 164.6
[M+CH3COO]- 303.01313 189.3
[M+Na-2H]- 264.97395 146.0
[M]+ 243.99873 155.5
[M]- 243.99983 155.5
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.