CID 15289941

150322-73-9

Structural Information

Molecular Formula

C₁₁H₁₁FO

SMILES

C1CC1C(=O)CC2=CC=CC=C2F

InChI

InChI=1S/C11H11FO/c12-10-4-2-1-3-9(10)7-11(13)8-5-6-8/h1-4,8H,5-7H2

InChIKey

DWBGTJUQWKWYGB-UHFFFAOYSA-N

Compound name

1-cyclopropyl-2-(2-fluorophenyl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 188
Patents: 178.07939 Da
Monoisotopic Mass: 2.3
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]+	179.08667	141.1
[M+Na]+	201.06861	154.3
[M+NH4]+	196.11321	150.0
[M+K]+	217.04255	149.0
[M-H]-	177.07211	149.9
[M+Na-2H]-	199.05406	150.6
[M]+	178.07884	146.4
[M]-	178.07994	146.4

Literature stripe

literature stripe

Patent stripe

patents stripe