CID 138991157

6-[2-(4-bromophenyl)-2-oxoethyl]-2,3-dihydropyridazin-3-one

Structural Information

Molecular Formula
C12H9BrN2O2
SMILES
C1=CC(=CC=C1C(=O)CC2=NNC(=O)C=C2)Br
InChI
InChI=1S/C12H9BrN2O2/c13-9-3-1-8(2-4-9)11(16)7-10-5-6-12(17)15-14-10/h1-6H,7H2,(H,15,17)
InChIKey
JEQNETYEKUUXGP-UHFFFAOYSA-N
Compound name
3-[2-(4-bromophenyl)-2-oxoethyl]-1H-pyridazin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.98474 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.99202 152.4
[M+Na]+ 314.97396 164.1
[M-H]- 290.97746 158.1
[M+NH4]+ 310.01856 168.2
[M+K]+ 330.94790 151.6
[M+H-H2O]+ 274.98200 150.8
[M+HCOO]- 336.98294 170.8
[M+CH3COO]- 350.99859 194.2
[M+Na-2H]- 312.95941 159.7
[M]+ 291.98419 170.3
[M]- 291.98529 170.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.