CID 2762940

2-(1-benzofuran-3-yl)acetic acid

Structural Information

Molecular Formula
C10H8O3
SMILES
C1=CC=C2C(=C1)C(=CO2)CC(=O)O
InChI
InChI=1S/C10H8O3/c11-10(12)5-7-6-13-9-4-2-1-3-8(7)9/h1-4,6H,5H2,(H,11,12)
InChIKey
QWMVFCMIUUHJDH-UHFFFAOYSA-N
Compound name
2-(1-benzofuran-3-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

143
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 132.4
[M+Na]+ 199.03657 142.4
[M-H]- 175.04007 137.2
[M+NH4]+ 194.08117 153.7
[M+K]+ 215.01051 140.9
[M+H-H2O]+ 159.04461 127.6
[M+HCOO]- 221.04555 156.3
[M+CH3COO]- 235.06120 176.1
[M+Na-2H]- 197.02202 140.4
[M]+ 176.04680 135.9
[M]- 176.04790 135.9
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