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

11
Patents

225.0213 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.028576 138.7
[M+Na]+ 248.010518 148.4
[M-H]- 224.014024 136.6
[M+NH4]+ 243.055123 156.8
[M+K]+ 263.984458 145.3
[M+H-H2O]+ 208.018560 129.1
[M+HCOO]- 270.019501 157.1
[M+CH3COO]- 284.035151 190.4
[M+Na-2H]- 245.995966 142.8
[M]+ 225.02075142 131.6
[M]- 225.02184858 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