CID 144254

4-fluoro-3-(trifluoromethyl)benzamide

Structural Information

Molecular Formula
C8H5F4NO
SMILES
C1=CC(=C(C=C1C(=O)N)C(F)(F)F)F
InChI
InChI=1S/C8H5F4NO/c9-6-2-1-4(7(13)14)3-5(6)8(10,11)12/h1-3H,(H2,13,14)
InChIKey
UUOVPAFAXSKGMP-UHFFFAOYSA-N
Compound name
4-fluoro-3-(trifluoromethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

289
Patents

207.03073 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.03801 147.1
[M+Na]+ 230.01995 154.4
[M+NH4]+ 225.06455 151.4
[M+K]+ 245.99389 150.3
[M-H]- 206.02345 142.9
[M+Na-2H]- 228.00540 149.8
[M]+ 207.03018 146.5
[M]- 207.03128 146.5
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