CID 18156

3006-93-7

Structural Information

Molecular Formula
C14H8N2O4
SMILES
C1=CC(=CC(=C1)N2C(=O)C=CC2=O)N3C(=O)C=CC3=O
InChI
InChI=1S/C14H8N2O4/c17-11-4-5-12(18)15(11)9-2-1-3-10(8-9)16-13(19)6-7-14(16)20/h1-8H
InChIKey
IPJGAEWUPXWFPL-UHFFFAOYSA-N
Compound name
1-[3-(2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

22547
Patents

268.0484 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.05568 159.2
[M+Na]+ 291.03762 171.7
[M+NH4]+ 286.08222 165.2
[M+K]+ 307.01156 170.1
[M-H]- 267.04112 161.6
[M+Na-2H]- 289.02307 165.2
[M]+ 268.04785 161.3
[M]- 268.04895 161.3
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