CID 74275

1667-10-3

Structural Information

Molecular Formula

C₁₄H₁₂Cl₂

SMILES

C1=CC(=CC=C1CCl)C2=CC=C(C=C2)CCl

InChI

InChI=1S/C14H12Cl2/c15-9-11-1-5-13(6-2-11)14-7-3-12(10-16)4-8-14/h1-8H,9-10H2

InChIKey

INZDTEICWPZYJM-UHFFFAOYSA-N

Compound name

1-(chloromethyl)-4-[4-(chloromethyl)phenyl]benzene

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 13016
Patents: 250.0316 Da
Monoisotopic Mass: 5.1
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]+	251.038876	152.1
[M+Na]+	273.020818	161.8
[M-H]-	249.024324	157.9
[M+NH4]+	268.065423	170.7
[M+K]+	288.994758	154.7
[M+H-H2O]+	233.028860	146.4
[M+HCOO]-	295.029801	166.6
[M+CH3COO]-	309.045451	164.9
[M+Na-2H]-	271.006266	157.4
[M]+	250.03105142	155.3
[M]-	250.03214858	155.3

Literature stripe

literature stripe

Patent stripe

patents stripe