CID 4517860

N-(2,4-difluorophenyl)-2,2,2-trifluoroacetamide

Structural Information

Molecular Formula
C8H4F5NO
SMILES
C1=CC(=C(C=C1F)F)NC(=O)C(F)(F)F
InChI
InChI=1S/C8H4F5NO/c9-4-1-2-6(5(10)3-4)14-7(15)8(11,12)13/h1-3H,(H,14,15)
InChIKey
KFBSEUVNGYXFLB-UHFFFAOYSA-N
Compound name
N-(2,4-difluorophenyl)-2,2,2-trifluoroacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

225.0213 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.02858 154.2
[M+Na]+ 248.01052 160.3
[M+NH4]+ 243.05512 157.4
[M+K]+ 263.98446 156.1
[M-H]- 224.01402 148.9
[M+Na-2H]- 245.99597 156.0
[M]+ 225.02075 153.1
[M]- 225.02185 153.1
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