CID 45480185

1-acetyl-4-bromo-1h-indazole

Structural Information

Molecular Formula

C₉H₇BrN₂O

SMILES

CC(=O)N1C2=C(C=N1)C(=CC=C2)Br

InChI

InChI=1S/C9H7BrN2O/c1-6(13)12-9-4-2-3-8(10)7(9)5-11-12/h2-5H,1H3

InChIKey

MZBRBDKGAIDUPD-UHFFFAOYSA-N

Compound name

1-(4-bromoindazol-1-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 156
Patents: 237.97418 Da
Monoisotopic Mass: 2.1
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	143.6
[M+Na]+	260.96340	148.1
[M+NH4]+	256.00800	148.4
[M+K]+	276.93734	149.4
[M-H]-	236.96690	143.3
[M+Na-2H]-	258.94885	146.9
[M]+	237.97363	143.0
[M]-	237.97473	143.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe