CID 75696

Benzo[1,2-c:4,5-c']dipyrrole-1,3,5,7(2h,6h)-tetrone

Structural Information

Molecular Formula
C10H4N2O4
SMILES
C1=C2C(=CC3=C1C(=O)NC3=O)C(=O)NC2=O
InChI
InChI=1S/C10H4N2O4/c13-7-3-1-4-6(10(16)12-8(4)14)2-5(3)9(15)11-7/h1-2H,(H,11,13,15)(H,12,14,16)
InChIKey
UGQZLDXDWSPAOM-UHFFFAOYSA-N
Compound name
pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

33
References

3386
Patents

216.0171 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.02438 138.5
[M+Na]+ 239.00632 154.3
[M-H]- 215.00982 141.8
[M+NH4]+ 234.05092 159.6
[M+K]+ 254.98026 148.8
[M+H-H2O]+ 199.01436 133.7
[M+HCOO]- 261.01530 162.6
[M+CH3COO]- 275.03095 153.8
[M+Na-2H]- 236.99177 144.5
[M]+ 216.01655 143.2
[M]- 216.01765 143.2
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