CID 12689298

Methyl 5-bromo-1h-indazole-3-carboxylate

Structural Information

Molecular Formula

C₉H₇BrN₂O₂

SMILES

COC(=O)C1=NNC2=C1C=C(C=C2)Br

InChI

InChI=1S/C9H7BrN2O2/c1-14-9(13)8-6-4-5(10)2-3-7(6)11-12-8/h2-4H,1H3,(H,11,12)

InChIKey

WVNKCZKRGOOMNU-UHFFFAOYSA-N

Compound name

methyl 5-bromo-1H-indazole-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 247
Patents: 253.96909 Da
Monoisotopic Mass: 2.4
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]+	254.97637	148.2
[M+Na]+	276.95831	151.8
[M+NH4]+	272.00291	152.1
[M+K]+	292.93225	153.7
[M-H]-	252.96181	147.0
[M+Na-2H]-	274.94376	150.4
[M]+	253.96854	147.0
[M]-	253.96964	147.0

Literature stripe

literature stripe

Patent stripe

patents stripe