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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.