CID 85432033

Norfluoxetine acid

Structural Information

Molecular Formula

C₁₆H₁₃F₃O₃

SMILES

C1=CC=C(C=C1)C(CC(=O)O)OC2=CC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C16H13F3O3/c17-16(18,19)12-6-8-13(9-7-12)22-14(10-15(20)21)11-4-2-1-3-5-11/h1-9,14H,10H2,(H,20,21)

InChIKey

QXMMAJMDXZHOET-UHFFFAOYSA-N

Compound name

3-phenyl-3-[4-(trifluoromethyl)phenoxy]propanoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 310.08167 Da
Monoisotopic Mass: 3.8
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]+	311.088946	166.9
[M+Na]+	333.070888	173.3
[M-H]-	309.074394	168.1
[M+NH4]+	328.115493	180.3
[M+K]+	349.044828	169.3
[M+H-H2O]+	293.078930	157.0
[M+HCOO]-	355.079871	183.1
[M+CH3COO]-	369.095521	201.4
[M+Na-2H]-	331.056336	169.3
[M]+	310.08112142	163.6
[M]-	310.08221858	163.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.