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]+ 213.06586 143.5
[M+Na]+ 235.04780 155.5
[M-H]- 211.05130 147.3
[M+NH4]+ 230.09240 164.0
[M+K]+ 251.02174 151.2
[M+H-H2O]+ 195.05584 136.6
[M+HCOO]- 257.05678 164.2
[M+CH3COO]- 271.07243 157.4
[M+Na-2H]- 233.03325 149.7
[M]+ 212.05803 145.4
[M]- 212.05913 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.