CID 23155326

4-bromo-1h-indazol-3(2h)-one

Structural Information

Molecular Formula

C₇H₅BrN₂O

SMILES

C1=CC2=C(C(=C1)Br)C(=O)NN2

InChI

InChI=1S/C7H5BrN2O/c8-4-2-1-3-5-6(4)7(11)10-9-5/h1-3H,(H2,9,10,11)

InChIKey

AOSWBTIWUXRHRT-UHFFFAOYSA-N

Compound name

4-bromo-1,2-dihydroindazol-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 22
Patents: 211.95853 Da
Monoisotopic Mass: 1.8
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]+	212.96581	138.3
[M+Na]+	234.94775	142.4
[M+NH4]+	229.99235	142.7
[M+K]+	250.92169	143.9
[M-H]-	210.95125	137.3
[M+Na-2H]-	232.93320	141.1
[M]+	211.95798	137.3
[M]-	211.95908	137.3

Literature stripe

literature stripe

Patent stripe

patents stripe