CID 3049706

(+-)-ethyl s-butyl methylphosphonothioate

Structural Information

Molecular Formula
C7H17O2PS
SMILES
CCC(C)OP(=S)(C)OCC
InChI
InChI=1S/C7H17O2PS/c1-5-7(3)9-10(4,11)8-6-2/h7H,5-6H2,1-4H3
InChIKey
PJPVHAMBFOPEIO-UHFFFAOYSA-N
Compound name
butan-2-yloxy-ethoxy-methyl-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.0687 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.07598 144.2
[M+Na]+ 219.05792 152.5
[M+NH4]+ 214.10252 151.4
[M+K]+ 235.03186 146.4
[M-H]- 195.06142 142.4
[M+Na-2H]- 217.04337 145.7
[M]+ 196.06815 145.1
[M]- 196.06925 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.