CID 531810

N-(4-bromophenyl)-3-(trifluoromethyl)benzamide

Structural Information

Molecular Formula
C14H9BrF3NO
SMILES
C1=CC(=CC(=C1)C(F)(F)F)C(=O)NC2=CC=C(C=C2)Br
InChI
InChI=1S/C14H9BrF3NO/c15-11-4-6-12(7-5-11)19-13(20)9-2-1-3-10(8-9)14(16,17)18/h1-8H,(H,19,20)
InChIKey
JDUHFWWSDVISOZ-UHFFFAOYSA-N
Compound name
N-(4-bromophenyl)-3-(trifluoromethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

342.98196 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.98924 170.6
[M+Na]+ 365.97118 181.5
[M-H]- 341.97468 176.1
[M+NH4]+ 361.01578 187.3
[M+K]+ 381.94512 168.4
[M+H-H2O]+ 325.97922 166.9
[M+HCOO]- 387.98016 188.0
[M+CH3COO]- 401.99581 207.1
[M+Na-2H]- 363.95663 175.4
[M]+ 342.98141 184.4
[M]- 342.98251 184.4
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