CID 6507252

Phenylglyoxylonitrile oxime diisopropyl phosphate

Structural Information

Molecular Formula
C14H19N2O4P
SMILES
CC(C)OP(=O)(OC(C)C)O/N=C(/C#N)\C1=CC=CC=C1
InChI
InChI=1S/C14H19N2O4P/c1-11(2)18-21(17,19-12(3)4)20-16-14(10-15)13-8-6-5-7-9-13/h5-9,11-12H,1-4H3/b16-14-
InChIKey
ZGWHANJBJFFFBS-PEZBUJJGSA-N
Compound name
[(E)-[cyano(phenyl)methylidene]amino] dipropan-2-yl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.10825 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.11553 169.3
[M+Na]+ 333.09747 175.5
[M-H]- 309.10097 171.9
[M+NH4]+ 328.14207 182.7
[M+K]+ 349.07141 175.2
[M+H-H2O]+ 293.10551 153.6
[M+HCOO]- 355.10645 192.5
[M+CH3COO]- 369.12210 219.8
[M+Na-2H]- 331.08292 169.5
[M]+ 310.10770 169.5
[M]- 310.10880 169.5
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.