CID 11805348

436847-86-8

Structural Information

Molecular Formula

C₁₁H₁₃FO

SMILES

C1C[C@@H]([C@H](C1)O)C2=CC=C(C=C2)F

InChI

InChI=1S/C11H13FO/c12-9-6-4-8(5-7-9)10-2-1-3-11(10)13/h4-7,10-11,13H,1-3H2/t10-,11+/m1/s1

InChIKey

HLSQYAFIFDWGKY-MNOVXSKESA-N

Compound name

(1S,2R)-2-(4-fluorophenyl)cyclopentan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 180.09505 Da
Monoisotopic Mass: 2.3
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]+	181.10233	140.2
[M+Na]+	203.08427	151.6
[M+NH4]+	198.12887	149.2
[M+K]+	219.05821	146.4
[M-H]-	179.08777	142.6
[M+Na-2H]-	201.06972	146.5
[M]+	180.09450	142.3
[M]-	180.09560	142.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe