CID 165488721

5-bromo-1h-indazole-1-carbonylchloride

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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.92684 145.3
[M+Na]+ 280.90878 150.7
[M+NH4]+ 275.95338 150.4
[M+K]+ 296.88272 151.3
[M-H]- 256.91228 145.0
[M+Na-2H]- 278.89423 148.8
[M]+ 257.91901 145.0
[M]- 257.92011 145.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.