CID 60878402

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

Structural Information

Molecular Formula
C11H13FO2
SMILES
C1CC(C(C1)OC2=CC(=CC=C2)F)O
InChI
InChI=1S/C11H13FO2/c12-8-3-1-4-9(7-8)14-11-6-2-5-10(11)13/h1,3-4,7,10-11,13H,2,5-6H2
InChIKey
NMRAJBFDUFYELZ-UHFFFAOYSA-N
Compound name
2-(3-fluorophenoxy)cyclopentan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.08995 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.097226 140.1
[M+Na]+ 219.079168 147.3
[M-H]- 195.082674 144.2
[M+NH4]+ 214.123773 160.6
[M+K]+ 235.053108 144.5
[M+H-H2O]+ 179.087210 133.4
[M+HCOO]- 241.088151 161.3
[M+CH3COO]- 255.103801 180.0
[M+Na-2H]- 217.064616 142.9
[M]+ 196.08940142 136.8
[M]- 196.09049858 136.8
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.