CID 9578438

Phenylglyoxylonitrile oxime o-ethyl ethylphosphorothioate

Structural Information

Molecular Formula
C12H15N2O2PS
SMILES
CCOP(=S)(CC)O/N=C(/C#N)\C1=CC=CC=C1
InChI
InChI=1S/C12H15N2O2PS/c1-3-15-17(18,4-2)16-14-12(10-13)11-8-6-5-7-9-11/h5-9H,3-4H2,1-2H3/b14-12-
InChIKey
AGDHHUWVJOQUQW-OWBHPGMISA-N
Compound name
(E)-N-[ethoxy(ethyl)phosphinothioyl]oxybenzenecarboximidoyl cyanide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.05917 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.06645 163.2
[M+Na]+ 305.04839 171.2
[M-H]- 281.05189 166.7
[M+NH4]+ 300.09299 178.7
[M+K]+ 321.02233 168.8
[M+H-H2O]+ 265.05643 147.8
[M+HCOO]- 327.05737 183.9
[M+CH3COO]- 341.07302 212.6
[M+Na-2H]- 303.03384 163.8
[M]+ 282.05862 163.2
[M]- 282.05972 163.2
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.