CID 14385711

103861-30-9

Structural Information

Molecular Formula

C₁₁H₁₅Cl

SMILES

CC(C)CC1=CC=CC=C1CCl

InChI

InChI=1S/C11H15Cl/c1-9(2)7-10-5-3-4-6-11(10)8-12/h3-6,9H,7-8H2,1-2H3

InChIKey

DLVUFJUQSHGYKG-UHFFFAOYSA-N

Compound name

1-(chloromethyl)-2-(2-methylpropyl)benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 182.08623 Da
Monoisotopic Mass: 3.9
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]+	183.09351	138.6
[M+Na]+	205.07545	146.7
[M-H]-	181.07895	142.0
[M+NH4]+	200.12005	159.8
[M+K]+	221.04939	142.7
[M+H-H2O]+	165.08349	133.9
[M+HCOO]-	227.08443	156.9
[M+CH3COO]-	241.10008	183.3
[M+Na-2H]-	203.06090	143.5
[M]+	182.08568	141.0
[M]-	182.08678	141.0

Literature stripe

literature stripe

Patent stripe

patents stripe