CID 501298

5-chloro-8-hydroxy-6-methyl-1h-benzo[f]indazole-4,9-dione

Structural Information

Molecular Formula
C12H7ClN2O3
SMILES
CC1=CC(=C2C(=C1Cl)C(=O)C3=C(C2=O)NN=C3)O
InChI
InChI=1S/C12H7ClN2O3/c1-4-2-6(16)7-8(9(4)13)11(17)5-3-14-15-10(5)12(7)18/h2-3,16H,1H3,(H,14,15)
InChIKey
SYSOAUCNLVVJAI-UHFFFAOYSA-N
Compound name
5-chloro-8-hydroxy-6-methyl-1H-benzo[f]indazole-4,9-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

262.01453 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.02181 154.4
[M+Na]+ 285.00375 167.8
[M-H]- 261.00725 155.9
[M+NH4]+ 280.04835 172.8
[M+K]+ 300.97769 161.0
[M+H-H2O]+ 245.01179 149.1
[M+HCOO]- 307.01273 167.5
[M+CH3COO]- 321.02838 166.9
[M+Na-2H]- 282.98920 157.9
[M]+ 262.01398 156.9
[M]- 262.01508 156.9
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

No patent data available for this compound.