CID 155202055

3,5-dibromo-2-methylisonicotinaldehyde

Structural Information

Molecular Formula

C₇H₅Br₂NO

SMILES

CC1=NC=C(C(=C1Br)C=O)Br

InChI

InChI=1S/C7H5Br2NO/c1-4-7(9)5(3-11)6(8)2-10-4/h2-3H,1H3

InChIKey

SLEMLPPTGWNMOC-UHFFFAOYSA-N

Compound name

3,5-dibromo-2-methylpyridine-4-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 276.87378 Da
Monoisotopic Mass: 2.1
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]+	277.88106	129.8
[M+Na]+	299.86300	142.7
[M-H]-	275.86650	136.3
[M+NH4]+	294.90760	149.3
[M+K]+	315.83694	127.4
[M+H-H2O]+	259.87104	138.2
[M+HCOO]-	321.87198	146.5
[M+CH3COO]-	335.88763	200.8
[M+Na-2H]-	297.84845	138.2
[M]+	276.87323	165.1
[M]-	276.87433	165.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe