CID 512103

72304-85-9

Structural Information

Molecular Formula

C₁₅H₁₄ClO₅P

SMILES

CCOP(=O)(C(=O)OC1=CC=CC=C1)OC2=CC=C(C=C2)Cl

InChI

InChI=1S/C15H14ClO5P/c1-2-19-22(18,21-14-10-8-12(16)9-11-14)15(17)20-13-6-4-3-5-7-13/h3-11H,2H2,1H3

InChIKey

DULOPIOHIVOMNX-UHFFFAOYSA-N

Compound name

phenyl [(4-chlorophenoxy)-ethoxyphosphoryl]formate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 10
Patents: 340.02673 Da
Monoisotopic Mass: 4.0
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]+	341.03401	172.3
[M+Na]+	363.01595	180.0
[M-H]-	339.01945	178.1
[M+NH4]+	358.06055	186.9
[M+K]+	378.98989	176.9
[M+H-H2O]+	323.02399	163.0
[M+HCOO]-	385.02493	195.8
[M+CH3COO]-	399.04058	205.9
[M+Na-2H]-	361.00140	175.0
[M]+	340.02618	180.1
[M]-	340.02728	180.1

Literature stripe

literature stripe

Patent stripe

patents stripe