CID 531806

33489-71-3

Structural Information

Molecular Formula
C14H9F4NO
SMILES
C1=CC(=CC(=C1)C(F)(F)F)C(=O)NC2=CC=C(C=C2)F
InChI
InChI=1S/C14H9F4NO/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
SDBBNTCNOXEWLV-UHFFFAOYSA-N
Compound name
N-(4-fluorophenyl)-3-(trifluoromethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

283.062 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.06928 158.2
[M+Na]+ 306.05122 166.6
[M-H]- 282.05472 160.0
[M+NH4]+ 301.09582 173.6
[M+K]+ 322.02516 161.7
[M+H-H2O]+ 266.05926 147.5
[M+HCOO]- 328.06020 177.1
[M+CH3COO]- 342.07585 201.2
[M+Na-2H]- 304.03667 162.2
[M]+ 283.06145 152.2
[M]- 283.06255 152.2
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