CID 83681607

Schembl15815599

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

178.02661 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.03389 130.6
[M+Na]+ 201.01583 141.3
[M-H]- 177.01933 134.6
[M+NH4]+ 196.06043 151.3
[M+K]+ 216.98977 139.8
[M+H-H2O]+ 161.02387 126.3
[M+HCOO]- 223.02481 153.5
[M+CH3COO]- 237.04046 173.9
[M+Na-2H]- 199.00128 138.1
[M]+ 178.02606 133.8
[M]- 178.02716 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