CID 45480328

1005291-43-9

Structural Information

Molecular Formula

SMILES

C1=C(C(=CN=C1Br)F)C=O

InChI

InChI=1S/C6H3BrFNO/c7-6-1-4(3-10)5(8)2-9-6/h1-3H

InChIKey

DDLSIOQASXKYHW-UHFFFAOYSA-N

Compound name

2-bromo-5-fluoropyridine-4-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 242
Patents: 202.9382 Da
Monoisotopic Mass: 1.4
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]+	203.94548	133.8
[M+Na]+	225.92742	137.8
[M+NH4]+	220.97202	138.2
[M+K]+	241.90136	137.5
[M-H]-	201.93092	132.8
[M+Na-2H]-	223.91287	137.5
[M]+	202.93765	132.8
[M]-	202.93875	132.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe