CID 6509947

Alpha-cyanobenzaldoxime 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

0
Patents

281.09293 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.10021 161.5
[M+Na]+ 304.08215 168.0
[M-H]- 280.08565 164.0
[M+NH4]+ 299.12675 175.8
[M+K]+ 320.05609 166.9
[M+H-H2O]+ 264.09019 145.6
[M+HCOO]- 326.09113 187.6
[M+CH3COO]- 340.10678 215.7
[M+Na-2H]- 302.06760 164.8
[M]+ 281.09238 160.0
[M]- 281.09348 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

No patent data available for this compound.