CID 3058189

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

Structural Information

Molecular Formula
C12H14F3NO2
SMILES
CCCC(=O)NC1=CC=C(C=C1)C(C(F)(F)F)O
InChI
InChI=1S/C12H14F3NO2/c1-2-3-10(17)16-9-6-4-8(5-7-9)11(18)12(13,14)15/h4-7,11,18H,2-3H2,1H3,(H,16,17)
InChIKey
UMKXRAMGKRSFCN-UHFFFAOYSA-N
Compound name
N-[4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

261.09766 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.104936 155.8
[M+Na]+ 284.086878 161.9
[M-H]- 260.090384 153.9
[M+NH4]+ 279.131483 171.5
[M+K]+ 300.060818 158.9
[M+H-H2O]+ 244.094920 147.2
[M+HCOO]- 306.095861 172.7
[M+CH3COO]- 320.111511 195.9
[M+Na-2H]- 282.072326 157.9
[M]+ 261.09711142 151.1
[M]- 261.09820858 151.1
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