CID 103428

Benzyl dichlorobenzene

Structural Information

Molecular Formula

C₁₃H₁₀Cl₂

SMILES

C1=CC=C(C=C1)CC2=C(C=C(C=C2)Cl)Cl

InChI

InChI=1S/C13H10Cl2/c14-12-7-6-11(13(15)9-12)8-10-4-2-1-3-5-10/h1-7,9H,8H2

InChIKey

LQUWZOKGGJISJF-UHFFFAOYSA-N

Compound name

1-benzyl-2,4-dichlorobenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 61
Patents: 236.01596 Da
Monoisotopic Mass: 5.6
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]+	237.02324	148.5
[M+Na]+	259.00518	166.8
[M+NH4]+	254.04978	159.7
[M+K]+	274.97912	156.0
[M-H]-	235.00868	154.6
[M+Na-2H]-	256.99063	160.0
[M]+	236.01541	153.9
[M]-	236.01651	153.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe