CID 51356

5-hydroxy-4-benzofurancarboxylic acid acetate

Structural Information

Molecular Formula
C11H8O5
SMILES
CC(=O)OC1=C(C2=C(C=C1)OC=C2)C(=O)O
InChI
InChI=1S/C11H8O5/c1-6(12)16-9-3-2-8-7(4-5-15-8)10(9)11(13)14/h2-5H,1H3,(H,13,14)
InChIKey
BKFUQXORWHWIBK-UHFFFAOYSA-N
Compound name
5-acetyloxy-1-benzofuran-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.03717 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.04445 141.8
[M+Na]+ 243.02639 151.9
[M-H]- 219.02989 146.9
[M+NH4]+ 238.07099 161.3
[M+K]+ 259.00033 151.4
[M+H-H2O]+ 203.03443 136.8
[M+HCOO]- 265.03537 164.9
[M+CH3COO]- 279.05102 184.1
[M+Na-2H]- 241.01184 147.5
[M]+ 220.03662 147.5
[M]- 220.03772 147.5
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

No patent data available for this compound.