CID 53621882

2-(3-chlorophenyl)cyclopentan-1-ol

Structural Information

Molecular Formula
C11H13ClO
SMILES
C1CC(C(C1)O)C2=CC(=CC=C2)Cl
InChI
InChI=1S/C11H13ClO/c12-9-4-1-3-8(7-9)10-5-2-6-11(10)13/h1,3-4,7,10-11,13H,2,5-6H2
InChIKey
XBJWMSMUZCFGKY-UHFFFAOYSA-N
Compound name
2-(3-chlorophenyl)cyclopentan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.06549 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.072766 142.1
[M+Na]+ 219.054708 150.2
[M-H]- 195.058214 147.3
[M+NH4]+ 214.099313 163.5
[M+K]+ 235.028648 145.2
[M+H-H2O]+ 179.062750 137.1
[M+HCOO]- 241.063691 159.4
[M+CH3COO]- 255.079341 179.1
[M+Na-2H]- 217.040156 144.8
[M]+ 196.06494142 140.3
[M]- 196.06603858 140.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.