CID 4625407

2-bromoisonicotinamide

Structural Information

Molecular Formula

C₆H₅BrN₂O

SMILES

C1=CN=C(C=C1C(=O)N)Br

InChI

InChI=1S/C6H5BrN2O/c7-5-3-4(6(8)10)1-2-9-5/h1-3H,(H2,8,10)

InChIKey

KCELTDZFDHPTBI-UHFFFAOYSA-N

Compound name

2-bromopyridine-4-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 80
Patents: 199.95853 Da
Monoisotopic Mass: 0.6
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]+	200.96581	130.5
[M+Na]+	222.94775	142.2
[M-H]-	198.95125	135.4
[M+NH4]+	217.99235	151.4
[M+K]+	238.92169	131.5
[M+H-H2O]+	182.95579	129.9
[M+HCOO]-	244.95673	152.0
[M+CH3COO]-	258.97238	182.7
[M+Na-2H]-	220.93320	138.7
[M]+	199.95798	147.2
[M]-	199.95908	147.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe