CID 19772065

490022-01-0

Structural Information

Molecular Formula

C₁₀H₁₀FNO

SMILES

C1C(CN1)C(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C10H10FNO/c11-9-3-1-7(2-4-9)10(13)8-5-12-6-8/h1-4,8,12H,5-6H2

InChIKey

GYLLOKOCAHEPJY-UHFFFAOYSA-N

Compound name

azetidin-3-yl-(4-fluorophenyl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 179.07465 Da
Monoisotopic Mass: 1.0
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]+	180.08193	135.2
[M+Na]+	202.06387	141.3
[M-H]-	178.06737	137.7
[M+NH4]+	197.10847	146.6
[M+K]+	218.03781	141.1
[M+H-H2O]+	162.07191	122.5
[M+HCOO]-	224.07285	153.3
[M+CH3COO]-	238.08850	181.8
[M+Na-2H]-	200.04932	139.6
[M]+	179.07410	139.3
[M]-	179.07520	139.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe