CID 24728062

Methyl 6-bromo-1h-indazole-4-carboxylate

Structural Information

Molecular Formula
C9H7BrN2O2
SMILES
COC(=O)C1=C2C=NNC2=CC(=C1)Br
InChI
InChI=1S/C9H7BrN2O2/c1-14-9(13)6-2-5(10)3-8-7(6)4-11-12-8/h2-4H,1H3,(H,11,12)
InChIKey
FEPRHRPOKPTRQZ-UHFFFAOYSA-N
Compound name
methyl 6-bromo-1H-indazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

153
Patents

253.96909 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.97637 144.5
[M+Na]+ 276.95831 158.5
[M-H]- 252.96181 148.9
[M+NH4]+ 272.00291 165.2
[M+K]+ 292.93225 147.2
[M+H-H2O]+ 236.96635 144.3
[M+HCOO]- 298.96729 164.4
[M+CH3COO]- 312.98294 187.1
[M+Na-2H]- 274.94376 152.1
[M]+ 253.96854 165.3
[M]- 253.96964 165.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe