CID 589497

2,3-benzofurandicarboxylic acid

Structural Information

Molecular Formula
C10H6O5
SMILES
C1=CC=C2C(=C1)C(=C(O2)C(=O)O)C(=O)O
InChI
InChI=1S/C10H6O5/c11-9(12)7-5-3-1-2-4-6(5)15-8(7)10(13)14/h1-4H,(H,11,12)(H,13,14)
InChIKey
FAEMVAVNTRSKEZ-UHFFFAOYSA-N
Compound name
1-benzofuran-2,3-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

68
Patents

206.02153 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.028806 137.4
[M+Na]+ 229.010748 147.4
[M-H]- 205.014254 141.2
[M+NH4]+ 224.055353 156.6
[M+K]+ 244.984688 146.2
[M+H-H2O]+ 189.018790 132.8
[M+HCOO]- 251.019731 159.2
[M+CH3COO]- 265.035381 179.3
[M+Na-2H]- 226.996196 143.2
[M]+ 206.02098142 141.0
[M]- 206.02207858 141.0
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