CID 83156

13118-04-2

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

48
References

6022
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 155.5
[M+Na]+ 291.03762 166.3
[M-H]- 267.04112 164.3
[M+NH4]+ 286.08222 172.7
[M+K]+ 307.01156 162.4
[M+H-H2O]+ 251.04566 147.8
[M+HCOO]- 313.04660 178.9
[M+CH3COO]- 327.06225 195.1
[M+Na-2H]- 289.02307 155.3
[M]+ 268.04785 156.7
[M]- 268.04895 156.7
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