CID 5853061

150253-59-1

Structural Information

Molecular Formula

C₁₅H₁₃Cl

SMILES

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

InChI

InChI=1S/C15H13Cl/c16-12-15-10-8-14(9-11-15)7-6-13-4-2-1-3-5-13/h1-11H,12H2/b7-6+

InChIKey

IWJQBYQAGGHNAB-VOTSOKGWSA-N

Compound name

1-(chloromethyl)-4-[(E)-2-phenylethenyl]benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 100
Patents: 228.07057 Da
Monoisotopic Mass: 5.2
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]+	229.07785	149.8
[M+Na]+	251.05979	158.3
[M-H]-	227.06329	156.1
[M+NH4]+	246.10439	168.7
[M+K]+	267.03373	151.6
[M+H-H2O]+	211.06783	143.4
[M+HCOO]-	273.06877	169.5
[M+CH3COO]-	287.08442	188.6
[M+Na-2H]-	249.04524	156.2
[M]+	228.07002	151.0
[M]-	228.07112	151.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe