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]+ 197.07277 142.1
[M+Na]+ 219.05471 150.2
[M-H]- 195.05821 147.3
[M+NH4]+ 214.09931 163.5
[M+K]+ 235.02865 145.2
[M+H-H2O]+ 179.06275 137.1
[M+HCOO]- 241.06369 159.4
[M+CH3COO]- 255.07934 179.1
[M+Na-2H]- 217.04016 144.8
[M]+ 196.06494 140.3
[M]- 196.06604 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.