CID 12174986

4-fluoro-1-indanone

Structural Information

Molecular Formula

SMILES

C1CC(=O)C2=C1C(=CC=C2)F

InChI

InChI=1S/C9H7FO/c10-8-3-1-2-7-6(8)4-5-9(7)11/h1-3H,4-5H2

InChIKey

HOMSJDBZHCPYHY-UHFFFAOYSA-N

Compound name

4-fluoro-2,3-dihydroinden-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 214
Patents: 150.0481 Da
Monoisotopic Mass: 1.8
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]+	151.055376	125.6
[M+Na]+	173.037318	135.6
[M-H]-	149.040824	129.4
[M+NH4]+	168.081923	150.1
[M+K]+	189.011258	132.8
[M+H-H2O]+	133.045360	120.1
[M+HCOO]-	195.046301	148.8
[M+CH3COO]-	209.061951	175.2
[M+Na-2H]-	171.022766	131.7
[M]+	150.04755142	124.0
[M]-	150.04864858	124.0

Literature stripe

literature stripe

Patent stripe

patents stripe