CID 84716476

Refchem:489480

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C9H9FO/c10-9(4-5-9)7-2-1-3-8(11)6-7/h1-3,6,11H,4-5H2

InChIKey

AQEKGKDJOBEKRR-UHFFFAOYSA-N

Compound name

3-(1-fluorocyclopropyl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 152.06374 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]+	153.071016	125.8
[M+Na]+	175.052958	136.4
[M-H]-	151.056464	131.6
[M+NH4]+	170.097563	143.5
[M+K]+	191.026898	133.9
[M+H-H2O]+	135.061000	120.0
[M+HCOO]-	197.061941	148.4
[M+CH3COO]-	211.077591	176.3
[M+Na-2H]-	173.038406	134.1
[M]+	152.06319142	126.2
[M]-	152.06428858	126.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.