CID 689073

6-(4-bromophenyl)-2,3-dihydropyridazin-3-one

Structural Information

Molecular Formula
C10H7BrN2O
SMILES
C1=CC(=CC=C1C2=NNC(=O)C=C2)Br
InChI
InChI=1S/C10H7BrN2O/c11-8-3-1-7(2-4-8)9-5-6-10(14)13-12-9/h1-6H,(H,13,14)
InChIKey
SXDHLGDAZQDUBI-UHFFFAOYSA-N
Compound name
3-(4-bromophenyl)-1H-pyridazin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

249.97418 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.98146 141.8
[M+Na]+ 272.96340 154.6
[M-H]- 248.96690 147.7
[M+NH4]+ 268.00800 159.6
[M+K]+ 288.93734 142.1
[M+H-H2O]+ 232.97144 140.8
[M+HCOO]- 294.97238 161.5
[M+CH3COO]- 308.98803 156.5
[M+Na-2H]- 270.94885 151.3
[M]+ 249.97363 159.1
[M]- 249.97473 159.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe