CID 209164

Styrene, 4-chloro-beta,beta-dimethyl-

Structural Information

Molecular Formula

C₁₀H₁₁Cl

SMILES

CC(=CC1=CC=C(C=C1)Cl)C

InChI

InChI=1S/C10H11Cl/c1-8(2)7-9-3-5-10(11)6-4-9/h3-7H,1-2H3

InChIKey

WRALWKVPQMAMTI-UHFFFAOYSA-N

Compound name

1-chloro-4-(2-methylprop-1-enyl)benzene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 20
Patents: 166.05493 Da
Monoisotopic Mass: 4.6
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]+	167.06221	133.4
[M+Na]+	189.04415	148.2
[M+NH4]+	184.08875	143.5
[M+K]+	205.01809	139.9
[M-H]-	165.04765	136.5
[M+Na-2H]-	187.02960	141.5
[M]+	166.05438	136.8
[M]-	166.05548	136.8

Literature stripe

literature stripe

Patent stripe

patents stripe