CID 5274057

5-bromo-2-hydroxy-n-[4-(trifluoromethyl)phenyl]benzamide

Structural Information

Molecular Formula
C14H9BrF3NO2
SMILES
C1=CC(=CC=C1C(F)(F)F)NC(=O)C2=C(C=CC(=C2)Br)O
InChI
InChI=1S/C14H9BrF3NO2/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
ZKCFHRYMOQJJGQ-UHFFFAOYSA-N
Compound name
5-bromo-2-hydroxy-N-[4-(trifluoromethyl)phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

6
Patents

358.97687 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.98415 173.6
[M+Na]+ 381.96609 184.5
[M-H]- 357.96959 178.0
[M+NH4]+ 377.01069 189.0
[M+K]+ 397.94003 171.3
[M+H-H2O]+ 341.97413 169.8
[M+HCOO]- 403.97507 189.6
[M+CH3COO]- 417.99072 207.9
[M+Na-2H]- 379.95154 177.3
[M]+ 358.97632 187.2
[M]- 358.97742 187.2
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