CID 2805218

Phenyl 2,6-dichlorobenzoate

Structural Information

Molecular Formula

C₁₃H₈Cl₂O₂

SMILES

C1=CC=C(C=C1)OC(=O)C2=C(C=CC=C2Cl)Cl

InChI

InChI=1S/C13H8Cl2O2/c14-10-7-4-8-11(15)12(10)13(16)17-9-5-2-1-3-6-9/h1-8H

InChIKey

ZNPIVESKOKHXQF-UHFFFAOYSA-N

Compound name

phenyl 2,6-dichlorobenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 265.99014 Da
Monoisotopic Mass: 4.6
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]+	266.997416	152.1
[M+Na]+	288.979358	162.3
[M-H]-	264.982864	158.6
[M+NH4]+	284.023963	170.0
[M+K]+	304.953298	156.5
[M+H-H2O]+	248.987400	146.7
[M+HCOO]-	310.988341	166.9
[M+CH3COO]-	325.003991	193.0
[M+Na-2H]-	286.964806	156.9
[M]+	265.98959142	156.6
[M]-	265.99068858	156.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe