CID 23467938

848952-82-9

Structural Information

Molecular Formula

C₆H₆BrN₃O

SMILES

C1=CC(=NC=C1Br)C(=O)NN

InChI

InChI=1S/C6H6BrN3O/c7-4-1-2-5(9-3-4)6(11)10-8/h1-3H,8H2,(H,10,11)

InChIKey

ILFSNCKFUDLHIO-UHFFFAOYSA-N

Compound name

5-bromopyridine-2-carbohydrazide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 48
Patents: 214.96942 Da
Monoisotopic Mass: 0.4
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]+	215.976696	134.1
[M+Na]+	237.958638	144.8
[M-H]-	213.962144	138.8
[M+NH4]+	233.003243	154.0
[M+K]+	253.932578	133.7
[M+H-H2O]+	197.966680	132.4
[M+HCOO]-	259.967621	156.4
[M+CH3COO]-	273.983271	186.7
[M+Na-2H]-	235.944086	142.4
[M]+	214.96887142	149.8
[M]-	214.96996858	149.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe