CID 2767551

113405-11-1

Structural Information

Molecular Formula
C10H8O3
SMILES
C1=CC(=C2C=COC2=C1)CC(=O)O
InChI
InChI=1S/C10H8O3/c11-10(12)6-7-2-1-3-9-8(7)4-5-13-9/h1-5H,6H2,(H,11,12)
InChIKey
CDDDSYGQJKWPME-UHFFFAOYSA-N
Compound name
2-(1-benzofuran-4-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
Patents

176.04735 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.054626 132.4
[M+Na]+ 199.036568 142.4
[M-H]- 175.040074 137.2
[M+NH4]+ 194.081173 153.7
[M+K]+ 215.010508 140.9
[M+H-H2O]+ 159.044610 127.6
[M+HCOO]- 221.045551 156.3
[M+CH3COO]- 235.061201 176.1
[M+Na-2H]- 197.022016 140.4
[M]+ 176.04680142 135.9
[M]- 176.04789858 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

No literature data available for this compound.

Patent stripe

patents stripe