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

3
Annotation Hits: 3
References: 3618
Patents: 266.0943 Da
Monoisotopic Mass: 4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	267.10158	159.3
[M+Na]+	289.08352	168.0
[M-H]-	265.08702	167.1
[M+NH4]+	284.12812	176.5
[M+K]+	305.05746	165.0
[M+H-H2O]+	249.09156	152.9
[M+HCOO]-	311.09250	181.1
[M+CH3COO]-	325.10815	172.3
[M+Na-2H]-	287.06897	163.7
[M]+	266.09375	162.4
[M]-	266.09485	162.4

Literature stripe

literature stripe

Patent stripe

patents stripe