CID 69898

4-nitrophenyl phosphorodichloridate

Structural Information

Molecular Formula

C₆H₄Cl₂NO₄P

SMILES

C1=CC(=CC=C1[N+](=O)[O-])OP(=O)(Cl)Cl

InChI

InChI=1S/C6H4Cl2NO4P/c7-14(8,12)13-6-3-1-5(2-4-6)9(10)11/h1-4H

InChIKey

NCPBESHYZRJICR-UHFFFAOYSA-N

Compound name

1-dichlorophosphoryloxy-4-nitrobenzene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 587
Patents: 254.9255 Da
Monoisotopic Mass: 2.8
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]+	255.932776	143.8
[M+Na]+	277.914718	153.0
[M-H]-	253.918224	146.6
[M+NH4]+	272.959323	162.0
[M+K]+	293.888658	145.8
[M+H-H2O]+	237.922760	143.2
[M+HCOO]-	299.923701	165.1
[M+CH3COO]-	313.939351	183.5
[M+Na-2H]-	275.900166	151.0
[M]+	254.92495142	148.2
[M]-	254.92604858	148.2

Literature stripe

literature stripe

Patent stripe

patents stripe