CID 64904863

2-cyclopropyl-1-(2-fluorophenyl)ethan-1-one

Structural Information

Molecular Formula

C₁₁H₁₁FO

SMILES

C1CC1CC(=O)C2=CC=CC=C2F

InChI

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

InChIKey

SEHRZRHVXLAWQM-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 178.07939 Da
Monoisotopic Mass: 2.8
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]+	179.086666	132.9
[M+Na]+	201.068608	142.3
[M-H]-	177.072114	139.4
[M+NH4]+	196.113213	148.2
[M+K]+	217.042548	139.2
[M+H-H2O]+	161.076650	125.5
[M+HCOO]-	223.077591	155.8
[M+CH3COO]-	237.093241	185.0
[M+Na-2H]-	199.054056	138.4
[M]+	178.07884142	134.0
[M]-	178.07993858	134.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe