CID 67959388

7-hydroxy-1-benzofuran-5-carboxylic acid

Structural Information

Molecular Formula
C9H6O4
SMILES
C1=COC2=C(C=C(C=C21)C(=O)O)O
InChI
InChI=1S/C9H6O4/c10-7-4-6(9(11)12)3-5-1-2-13-8(5)7/h1-4,10H,(H,11,12)
InChIKey
XLUVAZMQKUGXRI-UHFFFAOYSA-N
Compound name
7-hydroxy-1-benzofuran-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
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

No literature data available for this compound.

Patent stripe

patents stripe