CID 589730

4743-58-2

Structural Information

Molecular Formula
C10H8O4
SMILES
C1=CC=C2C(=C1)C(OC2=O)CC(=O)O
InChI
InChI=1S/C10H8O4/c11-9(12)5-8-6-3-1-2-4-7(6)10(13)14-8/h1-4,8H,5H2,(H,11,12)
InChIKey
FJWKEFBYCZSVNZ-UHFFFAOYSA-N
Compound name
2-(3-oxo-1H-2-benzofuran-1-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

109
Patents

192.04225 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.04953 137.5
[M+Na]+ 215.03147 148.7
[M+NH4]+ 210.07607 145.1
[M+K]+ 231.00541 146.1
[M-H]- 191.03497 139.1
[M+Na-2H]- 213.01692 140.8
[M]+ 192.04170 139.2
[M]- 192.04280 139.2
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