CID 4302

19232-43-0

Structural Information

Molecular Formula
C11H7NO5
SMILES
C1=CC(=C(C=C1N2C(=O)C=CC2=O)O)C(=O)O
InChI
InChI=1S/C11H7NO5/c13-8-5-6(1-2-7(8)11(16)17)12-9(14)3-4-10(12)15/h1-5,13H,(H,16,17)
InChIKey
SMSVFCGGVBWUJL-UHFFFAOYSA-N
Compound name
4-(2,5-dioxopyrrol-1-yl)-2-hydroxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

279
Patents

233.03242 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.03970 145.0
[M+Na]+ 256.02164 154.7
[M-H]- 232.02514 149.1
[M+NH4]+ 251.06624 162.0
[M+K]+ 271.99558 151.7
[M+H-H2O]+ 216.02968 138.8
[M+HCOO]- 278.03062 166.0
[M+CH3COO]- 292.04627 184.6
[M+Na-2H]- 254.00709 146.6
[M]+ 233.03187 145.3
[M]- 233.03297 145.3
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