CID 155820406

2567495-12-7

Structural Information

Molecular Formula

C₇H₄BrF₂NO

SMILES

C1=C(C=NC(=C1F)C(=O)CF)Br

InChI

InChI=1S/C7H4BrF2NO/c8-4-1-5(10)7(11-3-4)6(12)2-9/h1,3H,2H2

InChIKey

OFPFWMFXUQGUEU-UHFFFAOYSA-N

Compound name

1-(5-bromo-3-fluoropyridin-2-yl)-2-fluoroethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 234.94443 Da
Monoisotopic Mass: 2.0
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]+	235.95171	137.2
[M+Na]+	257.93365	150.4
[M-H]-	233.93715	140.2
[M+NH4]+	252.97825	157.6
[M+K]+	273.90759	139.2
[M+H-H2O]+	217.94169	135.5
[M+HCOO]-	279.94263	156.1
[M+CH3COO]-	293.95828	187.8
[M+Na-2H]-	255.91910	143.7
[M]+	234.94388	154.1
[M]-	234.94498	154.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.