CID 836337

62806-33-1

Structural Information

Molecular Formula
C13H10O3
SMILES
C1=CC=C(C=C1)C2=CC=C(O2)/C=C/C(=O)O
InChI
InChI=1S/C13H10O3/c14-13(15)9-7-11-6-8-12(16-11)10-4-2-1-3-5-10/h1-9H,(H,14,15)/b9-7+
InChIKey
GGEKLCJBCQCQPL-VQHVLOKHSA-N
Compound name
(E)-3-(5-phenylfuran-2-yl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

6
Patents

214.06299 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.07027 145.5
[M+Na]+ 237.05221 153.4
[M-H]- 213.05571 151.9
[M+NH4]+ 232.09681 163.7
[M+K]+ 253.02615 150.9
[M+H-H2O]+ 197.06025 139.4
[M+HCOO]- 259.06119 168.7
[M+CH3COO]- 273.07684 182.1
[M+Na-2H]- 235.03766 150.1
[M]+ 214.06244 146.4
[M]- 214.06354 146.4
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