CID 146180009

Schembl21472699

Structural Information

Molecular Formula

C₉H₁₀Cl₂

SMILES

CC1=CC(=CC(=C1CCl)C)Cl

InChI

InChI=1S/C9H10Cl2/c1-6-3-8(11)4-7(2)9(6)5-10/h3-4H,5H2,1-2H3

InChIKey

BQMZJQRTVIWBFK-UHFFFAOYSA-N

Compound name

5-chloro-2-(chloromethyl)-1,3-dimethylbenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 188.01596 Da
Monoisotopic Mass: 3.7
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]+	189.02324	134.6
[M+Na]+	211.00518	151.0
[M+NH4]+	206.04978	145.1
[M+K]+	226.97912	142.0
[M-H]-	187.00868	138.0
[M+Na-2H]-	208.99063	142.9
[M]+	188.01541	138.7
[M]-	188.01651	138.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe