CID 6507250

Phenylglyoxylonitrile oxime diethylphosphinothioate

Structural Information

Molecular Formula
C12H15N2OPS
SMILES
CCP(=S)(CC)O/N=C(/C#N)\C1=CC=CC=C1
InChI
InChI=1S/C12H15N2OPS/c1-3-16(17,4-2)15-14-12(10-13)11-8-6-5-7-9-11/h5-9H,3-4H2,1-2H3/b14-12-
InChIKey
MQZNNPPGQVAAKB-OWBHPGMISA-N
Compound name
(E)-N-diethylphosphinothioyloxybenzenecarboximidoyl cyanide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.06427 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.07155 161.0
[M+Na]+ 289.05349 169.1
[M-H]- 265.05699 164.6
[M+NH4]+ 284.09809 177.2
[M+K]+ 305.02743 166.1
[M+H-H2O]+ 249.06153 145.7
[M+HCOO]- 311.06247 181.4
[M+CH3COO]- 325.07812 210.7
[M+Na-2H]- 287.03894 161.2
[M]+ 266.06372 159.7
[M]- 266.06482 159.7
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.