CID 37801

Furaprofen

Structural Information

Molecular Formula
C17H14O3
SMILES
CC(C1=CC=CC2=C1OC=C2C3=CC=CC=C3)C(=O)O
InChI
InChI=1S/C17H14O3/c1-11(17(18)19)13-8-5-9-14-15(10-20-16(13)14)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19)
InChIKey
ODZUWQAFWMLWCF-UHFFFAOYSA-N
Compound name
2-(3-phenyl-1-benzofuran-7-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

3
References

3543
Patents

266.0943 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.101576 159.3
[M+Na]+ 289.083518 168.0
[M-H]- 265.087024 167.1
[M+NH4]+ 284.128123 176.5
[M+K]+ 305.057458 165.0
[M+H-H2O]+ 249.091560 152.9
[M+HCOO]- 311.092501 181.1
[M+CH3COO]- 325.108151 172.3
[M+Na-2H]- 287.068966 163.7
[M]+ 266.09375142 162.4
[M]- 266.09484858 162.4
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