CID 13708

Methylparaoxon

Structural Information

Molecular Formula

C₈H₁₀NO₆P

SMILES

COP(=O)(OC)OC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C8H10NO6P/c1-13-16(12,14-2)15-8-5-3-7(4-6-8)9(10)11/h3-6H,1-2H3

InChIKey

BAFQDKPJKOLXFZ-UHFFFAOYSA-N

Compound name

dimethyl (4-nitrophenyl) phosphate

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 107
References: 354
Patents: 247.02457 Da
Monoisotopic Mass: 1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	248.03185	146.1
[M+Na]+	270.01379	157.2
[M+NH4]+	265.05839	151.9
[M+K]+	285.98773	156.5
[M-H]-	246.01729	146.6
[M+Na-2H]-	267.99924	150.8
[M]+	247.02402	147.4
[M]-	247.02512	147.4

Literature stripe

literature stripe

Patent stripe

patents stripe