CID 165488721

2077127-33-2

Structural Information

Molecular Formula

C₈H₄BrClN₂O

SMILES

C1=CC2=C(C=C1Br)C=NN2C(=O)Cl

InChI

InChI=1S/C8H4BrClN2O/c9-6-1-2-7-5(3-6)4-11-12(7)8(10)13/h1-4H

InChIKey

SUTKFKLBGQSXDA-UHFFFAOYSA-N

Compound name

5-bromoindazole-1-carbonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 257.91956 Da
Monoisotopic Mass: 3.2
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]+	258.92684	141.3
[M+Na]+	280.90878	157.4
[M-H]-	256.91228	147.0
[M+NH4]+	275.95338	163.5
[M+K]+	296.88272	144.9
[M+H-H2O]+	240.91682	141.7
[M+HCOO]-	302.91776	158.4
[M+CH3COO]-	316.93341	157.5
[M+Na-2H]-	278.89423	149.6
[M]+	257.91901	164.0
[M]-	257.92011	164.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.