CID 3049712

(+)-ethyl s-isopropyl methylphosphonothioate

Structural Information

Molecular Formula
C6H15O2PS
SMILES
CCOP(=O)(C)SC(C)C
InChI
InChI=1S/C6H15O2PS/c1-5-8-9(4,7)10-6(2)3/h6H,5H2,1-4H3
InChIKey
XWXWAECVDNOFAX-UHFFFAOYSA-N
Compound name
2-[ethoxy(methyl)phosphoryl]sulfanylpropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.05304 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.06032 139.2
[M+Na]+ 205.04226 146.2
[M-H]- 181.04576 138.7
[M+NH4]+ 200.08686 160.5
[M+K]+ 221.01620 145.9
[M+H-H2O]+ 165.05030 132.3
[M+HCOO]- 227.05124 161.2
[M+CH3COO]- 241.06689 182.2
[M+Na-2H]- 203.02771 138.9
[M]+ 182.05249 145.1
[M]- 182.05359 145.1
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.