CID 2735541

3-bromo-4-chlorobenzhydrazide

Structural Information

Molecular Formula

C₇H₆BrClN₂O

SMILES

C1=CC(=C(C=C1C(=O)NN)Br)Cl

InChI

InChI=1S/C7H6BrClN2O/c8-5-3-4(7(12)11-10)1-2-6(5)9/h1-3H,10H2,(H,11,12)

InChIKey

MPLUVSFWRCWHFP-UHFFFAOYSA-N

Compound name

3-bromo-4-chlorobenzohydrazide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 43
Patents: 247.9352 Da
Monoisotopic Mass: 1.8
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]+	248.94248	141.6
[M+Na]+	270.92442	153.8
[M-H]-	246.92792	147.7
[M+NH4]+	265.96902	162.6
[M+K]+	286.89836	140.5
[M+H-H2O]+	230.93246	141.6
[M+HCOO]-	292.93340	160.3
[M+CH3COO]-	306.94905	191.8
[M+Na-2H]-	268.90987	148.0
[M]+	247.93465	159.3
[M]-	247.93575	159.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe