CID 32487

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

Structural Information

Molecular Formula
C10H8F3NO2
SMILES
CC(=O)C1=CC=C(C=C1)NC(=O)C(F)(F)F
InChI
InChI=1S/C10H8F3NO2/c1-6(15)7-2-4-8(5-3-7)14-9(16)10(11,12)13/h2-5H,1H3,(H,14,16)
InChIKey
IILMTVMHMUEWFW-UHFFFAOYSA-N
Compound name
N-(4-acetylphenyl)-2,2,2-trifluoroacetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

13
Patents

231.05072 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.057996 144.5
[M+Na]+ 254.039938 152.3
[M-H]- 230.043444 144.5
[M+NH4]+ 249.084543 162.1
[M+K]+ 270.013878 150.0
[M+H-H2O]+ 214.047980 136.2
[M+HCOO]- 276.048921 163.9
[M+CH3COO]- 290.064571 191.5
[M+Na-2H]- 252.025386 148.3
[M]+ 231.05017142 140.4
[M]- 231.05126858 140.4
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