CID 21406294

62902-75-4

Structural Information

Molecular Formula

C₁₀H₆BrFN₂O

SMILES

C1=CC(=C(C=C1C2=NNC(=O)C=C2)Br)F

InChI

InChI=1S/C10H6BrFN2O/c11-7-5-6(1-2-8(7)12)9-3-4-10(15)14-13-9/h1-5H,(H,14,15)

InChIKey

OCKICOKOAMOPKY-UHFFFAOYSA-N

Compound name

3-(3-bromo-4-fluorophenyl)-1H-pyridazin-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 267.96475 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]+	268.97203	145.7
[M+Na]+	290.95397	159.3
[M-H]-	266.95747	150.6
[M+NH4]+	285.99857	162.9
[M+K]+	306.92791	146.3
[M+H-H2O]+	250.96201	143.8
[M+HCOO]-	312.96295	164.3
[M+CH3COO]-	326.97860	160.0
[M+Na-2H]-	288.93942	153.7
[M]+	267.96420	162.2
[M]-	267.96530	162.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe