CID 98104

2542-09-8

Structural Information

Molecular Formula

C₁₁H₁₃FO

SMILES

CC(C1CC1)(C2=CC=C(C=C2)F)O

InChI

InChI=1S/C11H13FO/c1-11(13,8-2-3-8)9-4-6-10(12)7-5-9/h4-8,13H,2-3H2,1H3

InChIKey

KTXSJDVWEXYQPK-UHFFFAOYSA-N

Compound name

1-cyclopropyl-1-(4-fluorophenyl)ethanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 24
Patents: 180.09505 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]+	181.102326	133.0
[M+Na]+	203.084268	142.3
[M-H]-	179.087774	138.3
[M+NH4]+	198.128873	147.8
[M+K]+	219.058208	138.9
[M+H-H2O]+	163.092310	126.4
[M+HCOO]-	225.093251	153.8
[M+CH3COO]-	239.108901	182.8
[M+Na-2H]-	201.069716	139.9
[M]+	180.09450142	133.2
[M]-	180.09559858	133.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe