CID 2752775

118112-20-2

Structural Information

Molecular Formula

SMILES

C1C2=C(C1=O)C(=CC=C2)F

InChI

InChI=1S/C8H5FO/c9-6-3-1-2-5-4-7(10)8(5)6/h1-3H,4H2

InChIKey

RUAXHQAMPKVKRL-UHFFFAOYSA-N

Compound name

5-fluorobicyclo[4.2.0]octa-1(6),2,4-trien-7-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 136.03244 Da
Monoisotopic Mass: 0.9
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]+	137.03972	122.4
[M+Na]+	159.02166	131.4
[M+NH4]+	154.06626	127.9
[M+K]+	174.99560	126.6
[M-H]-	135.02516	121.1
[M+Na-2H]-	157.00711	126.6
[M]+	136.03189	122.1
[M]-	136.03299	122.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.