CID 75654

Diphenyl chlorophosphate

Structural Information

Molecular Formula

C₁₂H₁₀ClO₃P

SMILES

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

InChI

InChI=1S/C12H10ClO3P/c13-17(14,15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-10H

InChIKey

BHIIGRBMZRSDRI-UHFFFAOYSA-N

Compound name

[chloro(phenoxy)phosphoryl]oxybenzene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 6
References: 8958
Patents: 268.0056 Da
Monoisotopic Mass: 3.5
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]+	269.01288	155.4
[M+Na]+	290.99482	163.7
[M-H]-	266.99832	161.0
[M+NH4]+	286.03942	172.8
[M+K]+	306.96876	159.8
[M+H-H2O]+	251.00286	146.6
[M+HCOO]-	313.00380	180.2
[M+CH3COO]-	327.01945	192.5
[M+Na-2H]-	288.98027	160.8
[M]+	268.00505	160.2
[M]-	268.00615	160.2

Literature stripe

literature stripe

Patent stripe

patents stripe