CID 23005307

1210059-73-6

Structural Information

Molecular Formula
C11H8O3
SMILES
C1=CC2=C(C=CO2)C=C1/C=C/C(=O)O
InChI
InChI=1S/C11H8O3/c12-11(13)4-2-8-1-3-10-9(7-8)5-6-14-10/h1-7H,(H,12,13)/b4-2+
InChIKey
MXISLJRYQRFUPN-DUXPYHPUSA-N
Compound name
(E)-3-(1-benzofuran-5-yl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

188.04735 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.05463 136.3
[M+Na]+ 211.03657 146.2
[M-H]- 187.04007 141.0
[M+NH4]+ 206.08117 157.1
[M+K]+ 227.01051 143.9
[M+H-H2O]+ 171.04461 131.4
[M+HCOO]- 233.04555 160.1
[M+CH3COO]- 247.06120 177.6
[M+Na-2H]- 209.02202 143.7
[M]+ 188.04680 139.3
[M]- 188.04790 139.3
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