CID 61594

4-chloro-2-cyclopentylphenol

Structural Information

Molecular Formula
C11H13ClO
SMILES
C1CCC(C1)C2=C(C=CC(=C2)Cl)O
InChI
InChI=1S/C11H13ClO/c12-9-5-6-11(13)10(7-9)8-3-1-2-4-8/h5-8,13H,1-4H2
InChIKey
LZUKCYHMVDGDBK-UHFFFAOYSA-N
Compound name
4-chloro-2-cyclopentylphenol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

210
Patents

196.06549 Da
Monoisotopic Mass

4.2
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

literature stripe

Patent stripe

patents stripe