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

2
Annotation Hits: 0
References: 20
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]+	197.072766	136.2
[M+Na]+	219.054708	146.1
[M-H]-	195.058214	142.5
[M+NH4]+	214.099313	151.3
[M+K]+	235.028648	141.4
[M+H-H2O]+	179.062750	131.2
[M+HCOO]-	241.063691	153.5
[M+CH3COO]-	255.079341	183.9
[M+Na-2H]-	217.040156	143.2
[M]+	196.06494142	139.4
[M]-	196.06603858	139.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe