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

11
Patents

188.04735 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.054626 136.3
[M+Na]+ 211.036568 146.2
[M-H]- 187.040074 141.0
[M+NH4]+ 206.081173 157.1
[M+K]+ 227.010508 143.9
[M+H-H2O]+ 171.044610 131.4
[M+HCOO]- 233.045551 160.1
[M+CH3COO]- 247.061201 177.6
[M+Na-2H]- 209.022016 143.7
[M]+ 188.04680142 139.3
[M]- 188.04789858 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