CID 482520

1-methylbenzo[f]indazole-4,9-dione

Structural Information

Molecular Formula
C12H8N2O2
SMILES
CN1C2=C(C=N1)C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C12H8N2O2/c1-14-10-9(6-13-14)11(15)7-4-2-3-5-8(7)12(10)16/h2-6H,1H3
InChIKey
CXPXQVYKLNHBNI-UHFFFAOYSA-N
Compound name
1-methylbenzo[f]indazole-4,9-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

212.05858 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.065856 143.5
[M+Na]+ 235.047798 155.5
[M-H]- 211.051304 147.3
[M+NH4]+ 230.092403 164.0
[M+K]+ 251.021738 151.2
[M+H-H2O]+ 195.055840 136.6
[M+HCOO]- 257.056781 164.2
[M+CH3COO]- 271.072431 157.4
[M+Na-2H]- 233.033246 149.7
[M]+ 212.05803142 145.4
[M]- 212.05912858 145.4
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.