CID 5274062

Chembl2313109

Structural Information

Molecular Formula
C14H9F4NO2
SMILES
C1=CC(=CC=C1C(F)(F)F)NC(=O)C2=C(C=CC(=C2)F)O
InChI
InChI=1S/C14H9F4NO2/c15-9-3-6-12(20)11(7-9)13(21)19-10-4-1-8(2-5-10)14(16,17)18/h1-7,20H,(H,19,21)
InChIKey
JBCXYEWLIYAKDJ-UHFFFAOYSA-N
Compound name
5-fluoro-2-hydroxy-N-[4-(trifluoromethyl)phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

3
Patents

299.05695 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.06423 161.4
[M+Na]+ 322.04617 170.3
[M-H]- 298.04967 162.3
[M+NH4]+ 317.09077 175.7
[M+K]+ 338.02011 165.2
[M+H-H2O]+ 282.05421 151.1
[M+HCOO]- 344.05515 179.0
[M+CH3COO]- 358.07080 202.1
[M+Na-2H]- 320.03162 164.3
[M]+ 299.05640 155.4
[M]- 299.05750 155.4
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