CID 21149447

42434-97-9

Structural Information

Molecular Formula
C19H18O4
SMILES
CCOC(=O)C(C)(C1=CC=CC2=C1OC=C2C3=CC=CC=C3)O
InChI
InChI=1S/C19H18O4/c1-3-22-18(20)19(2,21)16-11-7-10-14-15(12-23-17(14)16)13-8-5-4-6-9-13/h4-12,21H,3H2,1-2H3
InChIKey
IQLIOUSSZDMCHB-UHFFFAOYSA-N
Compound name
ethyl 2-hydroxy-2-(3-phenyl-1-benzofuran-7-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.1205 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.127776 171.8
[M+Na]+ 333.109718 180.1
[M-H]- 309.113224 179.5
[M+NH4]+ 328.154323 187.3
[M+K]+ 349.083658 177.5
[M+H-H2O]+ 293.117760 165.3
[M+HCOO]- 355.118701 192.4
[M+CH3COO]- 369.134351 202.2
[M+Na-2H]- 331.095166 177.3
[M]+ 310.11995142 177.0
[M]- 310.12104858 177.0
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

No patent data available for this compound.