CID 519927

3,5-bis(trifluoromethyl)benzamide

Structural Information

Molecular Formula
C9H5F6NO
SMILES
C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)C(=O)N
InChI
InChI=1S/C9H5F6NO/c10-8(11,12)5-1-4(7(16)17)2-6(3-5)9(13,14)15/h1-3H,(H2,16,17)
InChIKey
YNOPIKHMZIOWHS-UHFFFAOYSA-N
Compound name
3,5-bis(trifluoromethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

513
Patents

257.02753 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.03481 165.7
[M+Na]+ 280.01675 169.9
[M+NH4]+ 275.06135 167.4
[M+K]+ 295.99069 166.6
[M-H]- 256.02025 159.0
[M+Na-2H]- 278.00220 165.8
[M]+ 257.02698 163.9
[M]- 257.02808 163.9
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