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 151.1
[M+Na]+ 270.07124 157.7
[M-H]- 246.07474 149.4
[M+NH4]+ 265.11584 167.3
[M+K]+ 286.04518 154.9
[M+H-H2O]+ 230.07928 142.7
[M+HCOO]- 292.08022 168.4
[M+CH3COO]- 306.09587 192.9
[M+Na-2H]- 268.05669 153.7
[M]+ 247.08147 146.1
[M]- 247.08257 146.1
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