CID 704836

63591-87-7

Structural Information

Molecular Formula
C13H7NO5
SMILES
C1=CC=C2C(=C1)C(=O)N(C2=O)OC(=O)C3=CC=CO3
InChI
InChI=1S/C13H7NO5/c15-11-8-4-1-2-5-9(8)12(16)14(11)19-13(17)10-6-3-7-18-10/h1-7H
InChIKey
WMXZGHUSXJBNNS-UHFFFAOYSA-N
Compound name
(1,3-dioxoisoindol-2-yl) furan-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

257.0324 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.03968 151.2
[M+Na]+ 280.02162 161.3
[M-H]- 256.02512 159.4
[M+NH4]+ 275.06622 169.9
[M+K]+ 295.99556 160.1
[M+H-H2O]+ 240.02966 145.3
[M+HCOO]- 302.03060 174.2
[M+CH3COO]- 316.04625 191.6
[M+Na-2H]- 278.00707 154.3
[M]+ 257.03185 155.6
[M]- 257.03295 155.6
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

No patent data available for this compound.