CID 199968

1h-benzo[g]indole-2,3-dione

Structural Information

Molecular Formula
C12H7NO2
SMILES
C1=CC=C2C(=C1)C=CC3=C2NC(=O)C3=O
InChI
InChI=1S/C12H7NO2/c14-11-9-6-5-7-3-1-2-4-8(7)10(9)13-12(11)15/h1-6H,(H,13,14,15)
InChIKey
FTUPWENJOYTVOJ-UHFFFAOYSA-N
Compound name
1H-benzo[g]indole-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

91
Patents

197.04768 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.054956 138.6
[M+Na]+ 220.036898 149.4
[M-H]- 196.040404 142.2
[M+NH4]+ 215.081503 160.2
[M+K]+ 236.010838 144.3
[M+H-H2O]+ 180.044940 132.8
[M+HCOO]- 242.045881 159.3
[M+CH3COO]- 256.061531 152.4
[M+Na-2H]- 218.022346 145.3
[M]+ 197.04713142 137.8
[M]- 197.04822858 137.8
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

patents stripe