CID 102498

Alpha-cyclopropyl-4-fluorobenzenemethanol

Structural Information

Molecular Formula

C₁₀H₁₁FO

SMILES

C1CC1C(C2=CC=C(C=C2)F)O

InChI

InChI=1S/C10H11FO/c11-9-5-3-8(4-6-9)10(12)7-1-2-7/h3-7,10,12H,1-2H2

InChIKey

MJODBWDKPXYVMF-UHFFFAOYSA-N

Compound name

cyclopropyl-(4-fluorophenyl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 83
Patents: 166.07939 Da
Monoisotopic Mass: 1.9
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]+	167.086666	128.4
[M+Na]+	189.068608	137.5
[M-H]-	165.072114	133.6
[M+NH4]+	184.113213	143.6
[M+K]+	205.042548	134.3
[M+H-H2O]+	149.076650	121.5
[M+HCOO]-	211.077591	150.1
[M+CH3COO]-	225.093241	180.4
[M+Na-2H]-	187.054056	134.1
[M]+	166.07884142	128.1
[M]-	166.07993858	128.1

Literature stripe

literature stripe

Patent stripe

patents stripe