CID 3058188

N-(4-(1-hydroxy-2,2,2-trifluoroethyl)phenyl)-2-methylpropanamide

Structural Information

Molecular Formula
C12H14F3NO2
SMILES
CC(C)C(=O)NC1=CC=C(C=C1)C(C(F)(F)F)O
InChI
InChI=1S/C12H14F3NO2/c1-7(2)11(18)16-9-5-3-8(4-6-9)10(17)12(13,14)15/h3-7,10,17H,1-2H3,(H,16,18)
InChIKey
YFNQGVDMQNTQPV-UHFFFAOYSA-N
Compound name
2-methyl-N-[4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

261.09766 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.10494 159.8
[M+Na]+ 284.08688 166.0
[M+NH4]+ 279.13148 163.7
[M+K]+ 300.06082 162.9
[M-H]- 260.09038 155.6
[M+Na-2H]- 282.07233 161.6
[M]+ 261.09711 158.9
[M]- 261.09821 158.9
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