CID 13337804

5-bromo-6-chloro-1h-indazole

Structural Information

Molecular Formula

C₇H₄BrClN₂

SMILES

C1=C2C=NNC2=CC(=C1Br)Cl

InChI

InChI=1S/C7H4BrClN2/c8-5-1-4-3-10-11-7(4)2-6(5)9/h1-3H,(H,10,11)

InChIKey

YDHLEEKDDBGPNU-UHFFFAOYSA-N

Compound name

5-bromo-6-chloro-1H-indazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 30
Patents: 229.92464 Da
Monoisotopic Mass: 2.9
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]+	230.93192	135.5
[M+Na]+	252.91386	151.6
[M-H]-	228.91736	139.8
[M+NH4]+	247.95846	158.2
[M+K]+	268.88780	138.1
[M+H-H2O]+	212.92190	136.3
[M+HCOO]-	274.92284	152.0
[M+CH3COO]-	288.93849	151.6
[M+Na-2H]-	250.89931	144.9
[M]+	229.92409	156.0
[M]-	229.92519	156.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe