CID 589514

Acetanilide, 2,2,2-trifluoro-4'-(trifluoromethyl)-

Structural Information

Molecular Formula
C9H5F6NO
SMILES
C1=CC(=CC=C1C(F)(F)F)NC(=O)C(F)(F)F
InChI
InChI=1S/C9H5F6NO/c10-8(11,12)5-1-3-6(4-2-5)16-7(17)9(13,14)15/h1-4H,(H,16,17)
InChIKey
NAQZKEOLDQOSEN-UHFFFAOYSA-N
Compound name
2,2,2-trifluoro-N-[4-(trifluoromethyl)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

257.02753 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.03481 164.7
[M+Na]+ 280.01675 169.0
[M+NH4]+ 275.06135 166.6
[M+K]+ 295.99069 165.4
[M-H]- 256.02025 158.1
[M+Na-2H]- 278.00220 165.4
[M]+ 257.02698 163.0
[M]- 257.02808 163.0
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