CID 95004057

1821817-76-8

Structural Information

Molecular Formula

C₁₀H₁₁FO

SMILES

C1[C@H]([C@@H]1C2=CC=C(C=C2)F)CO

InChI

InChI=1S/C10H11FO/c11-9-3-1-7(2-4-9)10-5-8(10)6-12/h1-4,8,10,12H,5-6H2/t8-,10-/m0/s1

InChIKey

ODPZTCKFPWLUEV-WPRPVWTQSA-N

Compound name

[(1R,2R)-2-(4-fluorophenyl)cyclopropyl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 166.07939 Da
Monoisotopic Mass: 2.1
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]+	167.08667	136.7
[M+Na]+	189.06861	150.4
[M+NH4]+	184.11321	145.9
[M+K]+	205.04255	145.1
[M-H]-	165.07211	145.6
[M+Na-2H]-	187.05406	146.3
[M]+	166.07884	142.2
[M]-	166.07994	142.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe