CID 13714

13700-82-8

Structural Information

Molecular Formula

C₁₄H₁₀Cl₂

SMILES

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

InChI

InChI=1S/C14H10Cl2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10H

InChIKey

FTIHFTVXYNBUSM-UHFFFAOYSA-N

Compound name

(1,2-dichloro-2-phenylethenyl)benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 104
Patents: 248.01596 Da
Monoisotopic Mass: 5.0
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]+	249.02324	153.4
[M+Na]+	271.00518	170.1
[M+NH4]+	266.04978	163.9
[M+K]+	286.97912	160.2
[M-H]-	247.00868	158.7
[M+Na-2H]-	268.99063	164.2
[M]+	248.01541	158.2
[M]-	248.01651	158.2

Literature stripe

literature stripe

Patent stripe

patents stripe