CID 68619366

29735-85-1

Structural Information

Molecular Formula
C9H6O4
SMILES
C1=CC2=C(C=C1O)C(=CO2)C(=O)O
InChI
InChI=1S/C9H6O4/c10-5-1-2-8-6(3-5)7(4-13-8)9(11)12/h1-4,10H,(H,11,12)
InChIKey
GWWDURABERRAPL-UHFFFAOYSA-N
Compound name
5-hydroxy-1-benzofuran-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

178.02661 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.033886 130.6
[M+Na]+ 201.015828 141.3
[M-H]- 177.019334 134.6
[M+NH4]+ 196.060433 151.3
[M+K]+ 216.989768 139.8
[M+H-H2O]+ 161.023870 126.3
[M+HCOO]- 223.024811 153.5
[M+CH3COO]- 237.040461 173.9
[M+Na-2H]- 199.001276 138.1
[M]+ 178.02606142 133.8
[M]- 178.02715858 133.8
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