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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.08895 166.9
[M+Na]+ 333.07089 173.3
[M-H]- 309.07439 168.1
[M+NH4]+ 328.11549 180.3
[M+K]+ 349.04483 169.3
[M+H-H2O]+ 293.07893 157.0
[M+HCOO]- 355.07987 183.1
[M+CH3COO]- 369.09552 201.4
[M+Na-2H]- 331.05634 169.3
[M]+ 310.08112 163.6
[M]- 310.08222 163.6
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.