CID 9395

Paraoxon

Structural Information

Molecular Formula
C10H14NO6P
SMILES
CCOP(=O)(OCC)OC1=CC=C(C=C1)[N+](=O)[O-]
InChI
InChI=1S/C10H14NO6P/c1-3-15-18(14,16-4-2)17-10-7-5-9(6-8-10)11(12)13/h5-8H,3-4H2,1-2H3
InChIKey
WYMSBXTXOHUIGT-UHFFFAOYSA-N
Compound name
diethyl (4-nitrophenyl) phosphate
Related CIDs

2D Structure

compound 2d structure
10
Annotation Hits

2064
References

10919
Patents

275.05588 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.06316 157.6
[M+Na]+ 298.04510 163.9
[M-H]- 274.04860 160.5
[M+NH4]+ 293.08970 173.5
[M+K]+ 314.01904 160.0
[M+H-H2O]+ 258.05314 153.6
[M+HCOO]- 320.05408 187.6
[M+CH3COO]- 334.06973 191.2
[M+Na-2H]- 296.03055 164.6
[M]+ 275.05533 162.9
[M]- 275.05643 162.9
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

No patent data available for this compound.