CID 86615223

1239480-86-4

Structural Information

Molecular Formula

C₉H₇BrN₂O

SMILES

C1=CC2=C(C=C1C(=O)CBr)NN=C2

InChI

InChI=1S/C9H7BrN2O/c10-4-9(13)6-1-2-7-5-11-12-8(7)3-6/h1-3,5H,4H2,(H,11,12)

InChIKey

LAHDMSFZCZOZPG-UHFFFAOYSA-N

Compound name

2-bromo-1-(1H-indazol-6-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 237.97418 Da
Monoisotopic Mass: 2.7
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]+	238.98146	145.1
[M+Na]+	260.96340	148.7
[M+NH4]+	256.00800	149.4
[M+K]+	276.93734	150.0
[M-H]-	236.96690	144.2
[M+Na-2H]-	258.94885	147.9
[M]+	237.97363	144.0
[M]-	237.97473	144.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe