CID 40488766

5-bromo-2-fluoro-n-(3-(trifluoromethyl)phenyl)benzamide

Structural Information

Molecular Formula
C14H8BrF4NO
SMILES
C1=CC(=CC(=C1)NC(=O)C2=C(C=CC(=C2)Br)F)C(F)(F)F
InChI
InChI=1S/C14H8BrF4NO/c15-9-4-5-12(16)11(7-9)13(21)20-10-3-1-2-8(6-10)14(17,18)19/h1-7H,(H,20,21)
InChIKey
AQBOVMPSCYNVDA-UHFFFAOYSA-N
Compound name
5-bromo-2-fluoro-N-[3-(trifluoromethyl)phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

360.97253 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.97981 174.6
[M+Na]+ 383.96175 186.3
[M-H]- 359.96525 179.0
[M+NH4]+ 379.00635 190.7
[M+K]+ 399.93569 172.8
[M+H-H2O]+ 343.96979 169.9
[M+HCOO]- 405.97073 190.9
[M+CH3COO]- 419.98638 210.9
[M+Na-2H]- 381.94720 178.0
[M]+ 360.97198 187.5
[M]- 360.97308 187.5
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