CID 614310

4-bromo-1,2-dihydrophthalazin-1-one

Structural Information

Molecular Formula
C8H5BrN2O
SMILES
C1=CC=C2C(=C1)C(=O)NN=C2Br
InChI
InChI=1S/C8H5BrN2O/c9-7-5-3-1-2-4-6(5)8(12)11-10-7/h1-4H,(H,11,12)
InChIKey
DHXVJJHOVGTNDK-UHFFFAOYSA-N
Compound name
4-bromo-2H-phthalazin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

81
Patents

223.95853 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.965806 134.5
[M+Na]+ 246.947748 148.3
[M-H]- 222.951254 138.5
[M+NH4]+ 241.992353 154.5
[M+K]+ 262.921688 136.2
[M+H-H2O]+ 206.955790 134.4
[M+HCOO]- 268.956731 153.4
[M+CH3COO]- 282.972381 149.8
[M+Na-2H]- 244.933196 145.6
[M]+ 223.95798142 152.4
[M]- 223.95907858 152.4
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

patents stripe