CID 103959

51766-21-3

Structural Information

Molecular Formula

C₁₂H₁₁ClNO₂P

SMILES

C1=CC=C(C=C1)NP(=O)(OC2=CC=CC=C2)Cl

InChI

InChI=1S/C12H11ClNO2P/c13-17(15,14-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-10H,(H,14,15)

InChIKey

ZUQYQPGYEFBITH-UHFFFAOYSA-N

Compound name

N-[chloro(phenoxy)phosphoryl]aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 312
Patents: 267.0216 Da
Monoisotopic Mass: 3.9
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]+	268.02888	157.2
[M+Na]+	290.01082	171.1
[M+NH4]+	285.05542	165.7
[M+K]+	305.98476	163.4
[M-H]-	266.01432	161.3
[M+Na-2H]-	287.99627	167.1
[M]+	267.02105	160.6
[M]-	267.02215	160.6

Literature stripe

literature stripe

Patent stripe

patents stripe