CID 689108

36725-37-8

Structural Information

Molecular Formula
C10H9BrN2O
SMILES
C1CC(=O)NN=C1C2=CC=C(C=C2)Br
InChI
InChI=1S/C10H9BrN2O/c11-8-3-1-7(2-4-8)9-5-6-10(14)13-12-9/h1-4H,5-6H2,(H,13,14)
InChIKey
CDDNLMGOLYMTSF-UHFFFAOYSA-N
Compound name
3-(4-bromophenyl)-4,5-dihydro-1H-pyridazin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

47
Patents

251.98982 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.99710 145.4
[M+Na]+ 274.97904 156.2
[M-H]- 250.98254 150.6
[M+NH4]+ 270.02364 162.8
[M+K]+ 290.95298 144.1
[M+H-H2O]+ 234.98708 144.2
[M+HCOO]- 296.98802 162.3
[M+CH3COO]- 311.00367 159.0
[M+Na-2H]- 272.96449 152.8
[M]+ 251.98927 159.9
[M]- 251.99037 159.9
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