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

5
Patents

261.09766 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.104936 155.5
[M+Na]+ 284.086878 161.4
[M-H]- 260.090384 153.7
[M+NH4]+ 279.131483 171.1
[M+K]+ 300.060818 158.9
[M+H-H2O]+ 244.094920 147.1
[M+HCOO]- 306.095861 171.4
[M+CH3COO]- 320.111511 196.9
[M+Na-2H]- 282.072326 156.4
[M]+ 261.09711142 150.2
[M]- 261.09820858 150.2
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