CID 6507253

Phenylglyoxylonitrile oxime diethylphosphinate

Structural Information

Molecular Formula
C12H15N2O2P
SMILES
CCP(=O)(CC)O/N=C(/C#N)\C1=CC=CC=C1
InChI
InChI=1S/C12H15N2O2P/c1-3-17(15,4-2)16-14-12(10-13)11-8-6-5-7-9-11/h5-9H,3-4H2,1-2H3/b14-12-
InChIKey
IAJVTZOOYDBKIM-OWBHPGMISA-N
Compound name
(E)-N-diethylphosphoryloxybenzenecarboximidoyl cyanide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.08711 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.09439 156.0
[M+Na]+ 273.07633 163.8
[M-H]- 249.07983 158.9
[M+NH4]+ 268.12093 172.0
[M+K]+ 289.05027 161.7
[M+H-H2O]+ 233.08437 140.8
[M+HCOO]- 295.08531 181.2
[M+CH3COO]- 309.10096 209.3
[M+Na-2H]- 271.06178 158.9
[M]+ 250.08656 154.2
[M]- 250.08766 154.2
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.