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

15
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 138.7
[M+Na]+ 248.01052 148.4
[M-H]- 224.01402 136.6
[M+NH4]+ 243.05512 156.8
[M+K]+ 263.98446 145.3
[M+H-H2O]+ 208.01856 129.1
[M+HCOO]- 270.01950 157.1
[M+CH3COO]- 284.03515 190.4
[M+Na-2H]- 245.99597 142.8
[M]+ 225.02075 131.6
[M]- 225.02185 131.6
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