CID 11970524

Ethylthiophosphate

Structural Information

Molecular Formula
C2H7O3PS
SMILES
CCOP(=S)(O)O
InChI
InChI=1S/C2H7O3PS/c1-2-5-6(3,4)7/h2H2,1H3,(H2,3,4,7)
InChIKey
OJZGWRZUOHSWMB-UHFFFAOYSA-N
Compound name
ethoxy-dihydroxy-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

711
Patents

141.98535 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.992626 125.9
[M+Na]+ 164.974568 133.7
[M-H]- 140.978074 122.9
[M+NH4]+ 160.019173 147.1
[M+K]+ 180.948508 132.4
[M+H-H2O]+ 124.982610 119.8
[M+HCOO]- 186.983551 147.3
[M+CH3COO]- 200.999201 166.0
[M+Na-2H]- 162.960016 127.7
[M]+ 141.98480142 128.3
[M]- 141.98589858 128.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe