CID 616367

2,2,2-trifluoro-n-(4-nitrophenyl)acetamide

Structural Information

Molecular Formula
C8H5F3N2O3
SMILES
C1=CC(=CC=C1NC(=O)C(F)(F)F)[N+](=O)[O-]
InChI
InChI=1S/C8H5F3N2O3/c9-8(10,11)7(14)12-5-1-3-6(4-2-5)13(15)16/h1-4H,(H,12,14)
InChIKey
BLMWCZBKCOBVAM-UHFFFAOYSA-N
Compound name
2,2,2-trifluoro-N-(4-nitrophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

234.02522 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.03250 138.7
[M+Na]+ 257.01444 147.0
[M+NH4]+ 252.05904 143.3
[M+K]+ 272.98838 146.1
[M-H]- 233.01794 136.4
[M+Na-2H]- 254.99989 142.7
[M]+ 234.02467 138.6
[M]- 234.02577 138.6
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