CID 58380988

1202008-97-6

Structural Information

Molecular Formula

C₁₁H₁₀FNO

SMILES

C1C(CC1(C#N)C2=CC=C(C=C2)F)O

InChI

InChI=1S/C11H10FNO/c12-9-3-1-8(2-4-9)11(7-13)5-10(14)6-11/h1-4,10,14H,5-6H2

InChIKey

ULIJSKFEYXIVAS-UHFFFAOYSA-N

Compound name

1-(4-fluorophenyl)-3-hydroxycyclobutane-1-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
Patents: 191.07465 Da
Monoisotopic Mass: 1.4
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]+	192.08193	136.2
[M+Na]+	214.06387	145.8
[M-H]-	190.06737	140.3
[M+NH4]+	209.10847	149.5
[M+K]+	230.03781	145.0
[M+H-H2O]+	174.07191	120.0
[M+HCOO]-	236.07285	153.2
[M+CH3COO]-	250.08850	195.8
[M+Na-2H]-	212.04932	141.6
[M]+	191.07410	136.8
[M]-	191.07520	136.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe