CID 501292

8-chloro-5-hydroxy-1-methyl-benzo[f]indazole-4,9-dione

Structural Information

Molecular Formula
C12H7ClN2O3
SMILES
CN1C2=C(C=N1)C(=O)C3=C(C=CC(=C3C2=O)Cl)O
InChI
InChI=1S/C12H7ClN2O3/c1-15-10-5(4-14-15)11(17)9-7(16)3-2-6(13)8(9)12(10)18/h2-4,16H,1H3
InChIKey
DMIYWWLOBFMPHH-UHFFFAOYSA-N
Compound name
8-chloro-5-hydroxy-1-methylbenzo[f]indazole-4,9-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

262.01453 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.02181 153.9
[M+Na]+ 285.00375 167.8
[M-H]- 261.00725 156.8
[M+NH4]+ 280.04835 173.0
[M+K]+ 300.97769 161.8
[M+H-H2O]+ 245.01179 148.2
[M+HCOO]- 307.01273 168.5
[M+CH3COO]- 321.02838 167.1
[M+Na-2H]- 282.98920 157.8
[M]+ 262.01398 158.2
[M]- 262.01508 158.2
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.