CID 37329

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

Structural Information

Molecular Formula
C8H5F4NO
SMILES
C1=CC(=CC=C1NC(=O)C(F)(F)F)F
InChI
InChI=1S/C8H5F4NO/c9-5-1-3-6(4-2-5)13-7(14)8(10,11)12/h1-4H,(H,13,14)
InChIKey
YTUKUMWAERJYPA-UHFFFAOYSA-N
Compound name
2,2,2-trifluoro-N-(4-fluorophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

207.03073 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.03801 136.3
[M+Na]+ 230.01995 145.0
[M-H]- 206.02345 135.1
[M+NH4]+ 225.06455 154.9
[M+K]+ 245.99389 142.3
[M+H-H2O]+ 190.02799 127.4
[M+HCOO]- 252.02893 155.7
[M+CH3COO]- 266.04458 186.3
[M+Na-2H]- 228.00540 141.6
[M]+ 207.03018 130.0
[M]- 207.03128 130.0
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