CID 89985

23063-65-2

Structural Information

Molecular Formula

C₁₀H₁₁Cl

SMILES

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

InChI

InChI=1S/C10H11Cl/c1-8(2)7-9-3-5-10(11)6-4-9/h3-6H,1,7H2,2H3

InChIKey

VLIILLUQCKLPLB-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 166.05493 Da
Monoisotopic Mass: 4.2
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]+	167.06221	132.5
[M+Na]+	189.04415	141.3
[M-H]-	165.04765	136.2
[M+NH4]+	184.08875	154.2
[M+K]+	205.01809	137.0
[M+H-H2O]+	149.05219	128.1
[M+HCOO]-	211.05313	151.4
[M+CH3COO]-	225.06878	179.4
[M+Na-2H]-	187.02960	138.0
[M]+	166.05438	133.8
[M]-	166.05548	133.8

Literature stripe

literature stripe

Patent stripe

patents stripe