CID 26767

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

Structural Information

Molecular Formula
C10H10F3NO
SMILES
CCC1=CC=C(C=C1)NC(=O)C(F)(F)F
InChI
InChI=1S/C10H10F3NO/c1-2-7-3-5-8(6-4-7)14-9(15)10(11,12)13/h3-6H,2H2,1H3,(H,14,15)
InChIKey
VEYAGSUQCDESMW-UHFFFAOYSA-N
Compound name
N-(4-ethylphenyl)-2,2,2-trifluoroacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

217.07144 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.07872 143.0
[M+Na]+ 240.06066 150.8
[M-H]- 216.06416 142.9
[M+NH4]+ 235.10526 161.4
[M+K]+ 256.03460 148.1
[M+H-H2O]+ 200.06870 134.7
[M+HCOO]- 262.06964 162.9
[M+CH3COO]- 276.08529 189.5
[M+Na-2H]- 238.04611 147.9
[M]+ 217.07089 138.7
[M]- 217.07199 138.7
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