CID 10798787

41870-52-4

Structural Information

Molecular Formula

C₁₄H₁₃Cl

SMILES

CC1=CC=CC=C1C(C2=CC=CC=C2)Cl

InChI

InChI=1S/C14H13Cl/c1-11-7-5-6-10-13(11)14(15)12-8-3-2-4-9-12/h2-10,14H,1H3

InChIKey

VTZTUKIBJQCCMO-UHFFFAOYSA-N

Compound name

1-[chloro(phenyl)methyl]-2-methylbenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 216.07057 Da
Monoisotopic Mass: 4.3
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]+	217.07785	146.8
[M+Na]+	239.05979	163.8
[M+NH4]+	234.10439	157.8
[M+K]+	255.03373	154.1
[M-H]-	215.06329	153.0
[M+Na-2H]-	237.04524	158.2
[M]+	216.07002	151.7
[M]-	216.07112	151.7

Literature stripe

literature stripe

Patent stripe

patents stripe