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

1
Patents

261.09766 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.10494 155.8
[M+Na]+ 284.08688 161.9
[M-H]- 260.09038 153.9
[M+NH4]+ 279.13148 171.5
[M+K]+ 300.06082 158.9
[M+H-H2O]+ 244.09492 147.2
[M+HCOO]- 306.09586 172.7
[M+CH3COO]- 320.11151 195.9
[M+Na-2H]- 282.07233 157.9
[M]+ 261.09711 151.1
[M]- 261.09821 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