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]+	279.070176	160.0
[M+Na]+	301.052118	168.4
[M-H]-	277.055624	165.8
[M+NH4]+	296.096723	177.5
[M+K]+	317.026058	161.7
[M+H-H2O]+	261.060160	154.3
[M+HCOO]-	323.061101	172.1
[M+CH3COO]-	337.076751	200.2
[M+Na-2H]-	299.037566	162.0
[M]+	278.06235142	162.9
[M]-	278.06344858	162.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe