CID 100650

Benz[g]isoquinoline-5,10-dione

Structural Information

Molecular Formula
C13H7NO2
SMILES
C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=NC=C3
InChI
InChI=1S/C13H7NO2/c15-12-8-3-1-2-4-9(8)13(16)11-7-14-6-5-10(11)12/h1-7H
InChIKey
ZLLVUAAESHIVAZ-UHFFFAOYSA-N
Compound name
benzo[g]isoquinoline-5,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

13
References

246
Patents

209.04768 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.05496 140.7
[M+Na]+ 232.03690 151.5
[M-H]- 208.04040 145.4
[M+NH4]+ 227.08150 160.5
[M+K]+ 248.01084 147.0
[M+H-H2O]+ 192.04494 133.4
[M+HCOO]- 254.04588 161.7
[M+CH3COO]- 268.06153 154.4
[M+Na-2H]- 230.02235 150.1
[M]+ 209.04713 141.2
[M]- 209.04823 141.2
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

patents stripe