CID 19078385

123989-28-6

Structural Information

Molecular Formula

C₁₂H₁₅ClO

SMILES

CC(C1CC1)C(C2=CC=C(C=C2)Cl)O

InChI

InChI=1S/C12H15ClO/c1-8(9-2-3-9)12(14)10-4-6-11(13)7-5-10/h4-9,12,14H,2-3H2,1H3

InChIKey

MMHBKNHHEADGHK-UHFFFAOYSA-N

Compound name

1-(4-chlorophenyl)-2-cyclopropylpropan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 210.08115 Da
Monoisotopic Mass: 3.6
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]+	211.08843	138.9
[M+Na]+	233.07037	147.4
[M-H]-	209.07387	144.8
[M+NH4]+	228.11497	153.1
[M+K]+	249.04431	142.8
[M+H-H2O]+	193.07841	133.4
[M+HCOO]-	255.07935	155.6
[M+CH3COO]-	269.09500	188.1
[M+Na-2H]-	231.05582	142.5
[M]+	210.08060	141.7
[M]-	210.08170	141.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe