CID 9562484

Phoxim, o,o-diethyl phosphate

Structural Information

Molecular Formula
C12H15N2O4P
SMILES
CCOP(=O)(OCC)O/N=C(\C#N)/C1=CC=CC=C1
InChI
InChI=1S/C12H15N2O4P/c1-3-16-19(15,17-4-2)18-14-12(10-13)11-8-6-5-7-9-11/h5-9H,3-4H2,1-2H3/b14-12+
InChIKey
LSUIQEGRPQBHDW-WYMLVPIESA-N
Compound name
[(Z)-[cyano(phenyl)methylidene]amino] diethyl phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4
Patents

282.07693 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.084206 159.2
[M+Na]+ 305.066148 166.7
[M-H]- 281.069654 162.0
[M+NH4]+ 300.110753 173.9
[M+K]+ 321.040088 165.9
[M+H-H2O]+ 265.074190 143.6
[M+HCOO]- 327.075131 184.8
[M+CH3COO]- 341.090781 213.0
[M+Na-2H]- 303.051596 162.6
[M]+ 282.07638142 159.9
[M]- 282.07747858 159.9
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