CID 14252255

76253-60-6

Structural Information

Molecular Formula

C₁₄H₁₀Cl₄

SMILES

CC1=C(C(=C(C=C1)Cl)Cl)CC2=C(C(=CC=C2)Cl)Cl

InChI

InChI=1S/C14H10Cl4/c1-8-5-6-12(16)14(18)10(8)7-9-3-2-4-11(15)13(9)17/h2-6H,7H2,1H3

InChIKey

VFDKJOGFZHCXDA-UHFFFAOYSA-N

Compound name

1,2-dichloro-3-[(2,3-dichlorophenyl)methyl]-4-methylbenzene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 6
Patents: 317.95367 Da
Monoisotopic Mass: 6.7
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]+	318.960946	164.2
[M+Na]+	340.942888	175.7
[M-H]-	316.946394	167.5
[M+NH4]+	335.987493	180.2
[M+K]+	356.916828	168.0
[M+H-H2O]+	300.950930	160.0
[M+HCOO]-	362.951871	167.4
[M+CH3COO]-	376.967521	174.9
[M+Na-2H]-	338.928336	164.7
[M]+	317.95312142	167.7
[M]-	317.95421858	167.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe