CID 6509947

Glyoxylonitrile, phenyl-, oxime, n,o-diethylphosphoramidate

Structural Information

Molecular Formula
C12H16N3O3P
SMILES
CCNP(=O)(OCC)O/N=C(/C#N)\C1=CC=CC=C1
InChI
InChI=1S/C12H16N3O3P/c1-3-14-19(16,17-4-2)18-15-12(10-13)11-8-6-5-7-9-11/h5-9H,3-4H2,1-2H3,(H,14,16)/b15-12-
InChIKey
NZXWWYOQGFVAPU-QINSGFPZSA-N
Compound name
(E)-N-[ethoxy(ethylamino)phosphoryl]oxybenzenecarboximidoyl cyanide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

281.09293 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.100206 161.5
[M+Na]+ 304.082148 168.0
[M-H]- 280.085654 164.0
[M+NH4]+ 299.126753 175.8
[M+K]+ 320.056088 166.9
[M+H-H2O]+ 264.090190 145.6
[M+HCOO]- 326.091131 187.6
[M+CH3COO]- 340.106781 215.7
[M+Na-2H]- 302.067596 164.8
[M]+ 281.09238142 160.0
[M]- 281.09347858 160.0
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

patents stripe