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 139.9
[M+Na]+ 205.04226 148.5
[M+NH4]+ 200.08686 147.3
[M+K]+ 221.01620 142.6
[M-H]- 181.04576 138.2
[M+Na-2H]- 203.02771 141.7
[M]+ 182.05249 140.9
[M]- 182.05359 140.9
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.