CID 2079846

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.98196 Da
Monoisotopic Mass

4.3
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

No literature data available for this compound.

Patent stripe

patents stripe