CID 42563

57803-51-7

Structural Information

Molecular Formula

C₆H₅Cl₂N₃O

SMILES

C1=C(C=C(N=C1Cl)Cl)C(=O)NN

InChI

InChI=1S/C6H5Cl2N3O/c7-4-1-3(6(12)11-9)2-5(8)10-4/h1-2H,9H2,(H,11,12)

InChIKey

QZTMHCLQBRFNOF-UHFFFAOYSA-N

Compound name

2,6-dichloropyridine-4-carbohydrazide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
Patents: 204.98097 Da
Monoisotopic Mass: 1.3
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]+	205.98825	138.0
[M+Na]+	227.97019	148.0
[M-H]-	203.97369	139.8
[M+NH4]+	223.01479	156.4
[M+K]+	243.94413	143.2
[M+H-H2O]+	187.97823	133.3
[M+HCOO]-	249.97917	153.4
[M+CH3COO]-	263.99482	186.2
[M+Na-2H]-	225.95564	143.4
[M]+	204.98042	138.6
[M]-	204.98152	138.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe