CID 12589383

132376-67-1

Structural Information

Molecular Formula
C11H8O3
SMILES
C1=CC=C2C(=C1)C=C(O2)/C=C/C(=O)O
InChI
InChI=1S/C11H8O3/c12-11(13)6-5-9-7-8-3-1-2-4-10(8)14-9/h1-7H,(H,12,13)/b6-5+
InChIKey
SCFAXPKHRUZJFC-AATRIKPKSA-N
Compound name
(E)-3-(1-benzofuran-2-yl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
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

literature stripe

Patent stripe

patents stripe