CID 5271791

(z)-3-(benzofuran-2-yl)-2-hydroxy-prop-2-enoic acid

Structural Information

Molecular Formula
C11H8O4
SMILES
C1=CC=C2C(=C1)C=C(O2)/C=C(/C(=O)O)\O
InChI
InChI=1S/C11H8O4/c12-9(11(13)14)6-8-5-7-3-1-2-4-10(7)15-8/h1-6,12H,(H,13,14)/b9-6-
InChIKey
HWAZSODLCGWAQX-TWGQIWQCSA-N
Compound name
(Z)-3-(1-benzofuran-2-yl)-2-hydroxyprop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

204.04225 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.04953 140.3
[M+Na]+ 227.03147 149.2
[M-H]- 203.03497 143.6
[M+NH4]+ 222.07607 159.5
[M+K]+ 243.00541 147.1
[M+H-H2O]+ 187.03951 135.5
[M+HCOO]- 249.04045 161.6
[M+CH3COO]- 263.05610 178.2
[M+Na-2H]- 225.01692 146.0
[M]+ 204.04170 142.2
[M]- 204.04280 142.2
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

No patent data available for this compound.