CID 23463

62586-85-0

Structural Information

Molecular Formula

C₁₁H₁₃ClO

SMILES

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

InChI

InChI=1S/C11H13ClO/c1-11(13,8-2-3-8)9-4-6-10(12)7-5-9/h4-8,13H,2-3H2,1H3

InChIKey

OSFCGPVNQAPOHW-UHFFFAOYSA-N

Compound name

1-(4-chlorophenyl)-1-cyclopropylethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 196.06549 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]+	197.07277	142.6
[M+Na]+	219.05471	157.5
[M+NH4]+	214.09931	152.6
[M+K]+	235.02865	151.9
[M-H]-	195.05821	152.5
[M+Na-2H]-	217.04016	153.0
[M]+	196.06494	149.0
[M]-	196.06604	149.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe