CID 219068

Fluprofen

Structural Information

Molecular Formula

C₁₅H₁₃FO₂

SMILES

CC(C1=CC=C(C=C1)C2=CC(=CC=C2)F)C(=O)O

InChI

InChI=1S/C15H13FO2/c1-10(15(17)18)11-5-7-12(8-6-11)13-3-2-4-14(16)9-13/h2-10H,1H3,(H,17,18)

InChIKey

TYCOFFBAZNSQOJ-UHFFFAOYSA-N

Compound name

2-[4-(3-fluorophenyl)phenyl]propanoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 10943
Patents: 244.08995 Da
Monoisotopic Mass: 3.7
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]+	245.097226	152.7
[M+Na]+	267.079168	160.1
[M-H]-	243.082674	157.1
[M+NH4]+	262.123773	169.3
[M+K]+	283.053108	156.2
[M+H-H2O]+	227.087210	145.0
[M+HCOO]-	289.088151	172.9
[M+CH3COO]-	303.103801	192.4
[M+Na-2H]-	265.064616	155.4
[M]+	244.08940142	150.9
[M]-	244.09049858	150.9

Literature stripe

literature stripe

Patent stripe

patents stripe