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
9
Annotation Hits

2055
References

9133
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 154.9
[M+Na]+ 298.04510 165.6
[M+NH4]+ 293.08970 160.4
[M+K]+ 314.01904 164.5
[M-H]- 274.04860 155.4
[M+Na-2H]- 296.03055 159.2
[M]+ 275.05533 156.2
[M]- 275.05643 156.2
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