CID 12797628

3509-85-1

Structural Information

Molecular Formula

C₁₃H₉Cl₃

SMILES

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

InChI

InChI=1S/C13H9Cl3/c14-12-9-5-4-8-11(12)13(15,16)10-6-2-1-3-7-10/h1-9H

InChIKey

PHRLCYSMTGTXMM-UHFFFAOYSA-N

Compound name

1-chloro-2-[dichloro(phenyl)methyl]benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 269.977 Da
Monoisotopic Mass: 5.2
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]+	270.98428	159.2
[M+Na]+	292.96622	176.6
[M+NH4]+	288.01082	169.7
[M+K]+	308.94016	166.2
[M-H]-	268.96972	164.0
[M+Na-2H]-	290.95167	170.0
[M]+	269.97645	164.4
[M]-	269.97755	164.4

Literature stripe

literature stripe

Patent stripe

patents stripe