CID 2110915

2-(6-hydroxy-1-benzofuran-3-yl)acetic acid

Structural Information

Molecular Formula
C10H8O4
SMILES
C1=CC2=C(C=C1O)OC=C2CC(=O)O
InChI
InChI=1S/C10H8O4/c11-7-1-2-8-6(3-10(12)13)5-14-9(8)4-7/h1-2,4-5,11H,3H2,(H,12,13)
InChIKey
ZEMXZWJZCWCPBM-UHFFFAOYSA-N
Compound name
2-(6-hydroxy-1-benzofuran-3-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

167
Patents

192.04225 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.04953 135.5
[M+Na]+ 215.03147 145.7
[M-H]- 191.03497 139.2
[M+NH4]+ 210.07607 155.6
[M+K]+ 231.00541 144.0
[M+H-H2O]+ 175.03951 130.9
[M+HCOO]- 237.04045 158.0
[M+CH3COO]- 251.05610 176.9
[M+Na-2H]- 213.01692 142.4
[M]+ 192.04170 139.0
[M]- 192.04280 139.0
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