CID 103123692

1493852-73-5

Structural Information

Molecular Formula

C₁₀H₉BrN₂O

SMILES

CN1C2=CC=CC=C2C(=N1)C(=O)CBr

InChI

InChI=1S/C10H9BrN2O/c1-13-8-5-3-2-4-7(8)10(12-13)9(14)6-11/h2-5H,6H2,1H3

InChIKey

AQZBRCROZGJLSQ-UHFFFAOYSA-N

Compound name

2-bromo-1-(1-methylindazol-3-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 251.98982 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]+	252.99710	145.5
[M+Na]+	274.97904	159.7
[M-H]-	250.98254	151.1
[M+NH4]+	270.02364	167.0
[M+K]+	290.95298	148.6
[M+H-H2O]+	234.98708	145.1
[M+HCOO]-	296.98802	166.4
[M+CH3COO]-	311.00367	191.0
[M+Na-2H]-	272.96449	153.1
[M]+	251.98927	167.2
[M]-	251.99037	167.2

Literature stripe

literature stripe

Patent stripe

patents stripe