CID 134327837

2306261-62-9

Structural Information

Molecular Formula

C₆H₂BrF₂NO

SMILES

C1=C(C(=C(C(=N1)Br)F)C=O)F

InChI

InChI=1S/C6H2BrF2NO/c7-6-5(9)3(2-11)4(8)1-10-6/h1-2H

InChIKey

UFRGLHDUZUECLE-UHFFFAOYSA-N

Compound name

2-bromo-3,5-difluoropyridine-4-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 220.92879 Da
Monoisotopic Mass: 1.5
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]+	221.93607	131.4
[M+Na]+	243.91801	146.1
[M-H]-	219.92151	134.9
[M+NH4]+	238.96261	152.7
[M+K]+	259.89195	134.9
[M+H-H2O]+	203.92605	130.1
[M+HCOO]-	265.92699	151.6
[M+CH3COO]-	279.94264	185.3
[M+Na-2H]-	241.90346	139.0
[M]+	220.92824	148.9
[M]-	220.92934	148.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe