CID 173881

62897-49-8

Structural Information

Molecular Formula

C₁₆H₁₆Cl₂

SMILES

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

InChI

InChI=1S/C16H16Cl2/c1-11(2)16(12-3-7-14(17)8-4-12)13-5-9-15(18)10-6-13/h3-11,16H,1-2H3

InChIKey

BKOIPYWPOJRHSU-UHFFFAOYSA-N

Compound name

1-chloro-4-[1-(4-chlorophenyl)-2-methylpropyl]benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 38
Patents: 278.0629 Da
Monoisotopic Mass: 6.4
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]+	279.07018	160.0
[M+Na]+	301.05212	168.4
[M-H]-	277.05562	165.8
[M+NH4]+	296.09672	177.5
[M+K]+	317.02606	161.7
[M+H-H2O]+	261.06016	154.3
[M+HCOO]-	323.06110	172.1
[M+CH3COO]-	337.07675	200.2
[M+Na-2H]-	299.03757	162.0
[M]+	278.06235	162.9
[M]-	278.06345	162.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe