CID 75696

Pyromellitic diimide

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

3173
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 141.3
[M+Na]+ 239.00632 155.3
[M+NH4]+ 234.05092 147.7
[M+K]+ 254.98026 154.1
[M-H]- 215.00982 140.3
[M+Na-2H]- 236.99177 145.0
[M]+ 216.01655 142.7
[M]- 216.01765 142.7
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