CID 221479

57583-53-6

Structural Information

Molecular Formula
C10H4N2O6
SMILES
C1=C2C(=CC3=C1C(=O)N(C3=O)O)C(=O)N(C2=O)O
InChI
InChI=1S/C10H4N2O6/c13-7-3-1-4-6(10(16)12(18)8(4)14)2-5(3)9(15)11(7)17/h1-2,17-18H
InChIKey
VBBUVIWLZBAEEF-UHFFFAOYSA-N
Compound name
2,6-dihydroxypyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

849
Patents

248.00694 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.01422 143.2
[M+Na]+ 270.99616 160.0
[M-H]- 246.99966 147.2
[M+NH4]+ 266.04076 163.3
[M+K]+ 286.97010 156.0
[M+H-H2O]+ 231.00420 138.7
[M+HCOO]- 293.00514 167.4
[M+CH3COO]- 307.02079 188.5
[M+Na-2H]- 268.98161 148.3
[M]+ 248.00639 151.5
[M]- 248.00749 151.5
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