CID 61809430

1247446-95-2

Structural Information

Molecular Formula

C₁₁H₁₃ClO

SMILES

C1CCC(C1)(C2=CC(=CC=C2)Cl)O

InChI

InChI=1S/C11H13ClO/c12-10-5-3-4-9(8-10)11(13)6-1-2-7-11/h3-5,8,13H,1-2,6-7H2

InChIKey

QTXPZSRXADHECA-UHFFFAOYSA-N

Compound name

1-(3-chlorophenyl)cyclopentan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 196.06549 Da
Monoisotopic Mass: 2.7
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	142.0
[M+Na]+	219.054708	150.1
[M-H]-	195.058214	147.3
[M+NH4]+	214.099313	165.2
[M+K]+	235.028648	145.2
[M+H-H2O]+	179.062750	137.4
[M+HCOO]-	241.063691	159.5
[M+CH3COO]-	255.079341	155.2
[M+Na-2H]-	217.040156	146.5
[M]+	196.06494142	140.1
[M]-	196.06603858	140.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe