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

10957
Patents

275.05588 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.063156 157.6
[M+Na]+ 298.045098 163.9
[M-H]- 274.048604 160.5
[M+NH4]+ 293.089703 173.5
[M+K]+ 314.019038 160.0
[M+H-H2O]+ 258.053140 153.6
[M+HCOO]- 320.054081 187.6
[M+CH3COO]- 334.069731 191.2
[M+Na-2H]- 296.030546 164.6
[M]+ 275.05533142 162.9
[M]- 275.05642858 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

literature stripe

Patent stripe

patents stripe