CID 198565

74696-73-4

Structural Information

Molecular Formula
C11H12F3NO2
SMILES
CCC(=O)NC1=CC=C(C=C1)C(C(F)(F)F)O
InChI
InChI=1S/C11H12F3NO2/c1-2-9(16)15-8-5-3-7(4-6-8)10(17)11(12,13)14/h3-6,10,17H,2H2,1H3,(H,15,16)
InChIKey
NKBABNRRDTZGJV-UHFFFAOYSA-N
Compound name
N-[4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

247.08202 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.08930 155.6
[M+Na]+ 270.07124 162.4
[M+NH4]+ 265.11584 159.8
[M+K]+ 286.04518 158.7
[M-H]- 246.07474 151.6
[M+Na-2H]- 268.05669 158.1
[M]+ 247.08147 154.9
[M]- 247.08257 154.9
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