CID 501284

5-bromo-1-methyl-benzo[f]indazole-4,9-dione

Structural Information

Molecular Formula
C12H7BrN2O2
SMILES
CN1C2=C(C=N1)C(=O)C3=C(C2=O)C=CC=C3Br
InChI
InChI=1S/C12H7BrN2O2/c1-15-10-7(5-14-15)11(16)9-6(12(10)17)3-2-4-8(9)13/h2-5H,1H3
InChIKey
CWTJWWXJBNCKCS-UHFFFAOYSA-N
Compound name
5-bromo-1-methylbenzo[f]indazole-4,9-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

289.9691 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.97638 154.9
[M+Na]+ 312.95832 170.3
[M-H]- 288.96182 161.5
[M+NH4]+ 308.00292 176.2
[M+K]+ 328.93226 158.4
[M+H-H2O]+ 272.96636 154.8
[M+HCOO]- 334.96730 173.4
[M+CH3COO]- 348.98295 170.1
[M+Na-2H]- 310.94377 161.3
[M]+ 289.96855 175.7
[M]- 289.96965 175.7
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

No patent data available for this compound.