CID 23438892

2-(benzofuran-5-yl)acetic acid

Structural Information

Molecular Formula
C10H8O3
SMILES
C1=CC2=C(C=CO2)C=C1CC(=O)O
InChI
InChI=1S/C10H8O3/c11-10(12)6-7-1-2-9-8(5-7)3-4-13-9/h1-5H,6H2,(H,11,12)
InChIKey
XUTBNKYATQJDLC-UHFFFAOYSA-N
Compound name
2-(1-benzofuran-5-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

205
Patents

176.04735 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.05463 132.9
[M+Na]+ 199.03657 146.0
[M+NH4]+ 194.08117 141.5
[M+K]+ 215.01051 142.4
[M-H]- 175.04007 135.6
[M+Na-2H]- 197.02202 138.8
[M]+ 176.04680 135.4
[M]- 176.04790 135.4
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

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