CID 6435515

Brn 6513224

Structural Information

Molecular Formula
C12H12F3NO2
SMILES
C1=CC(=CC(=C1)C(F)(F)F)/C=C/C(=O)NCCO
InChI
InChI=1S/C12H12F3NO2/c13-12(14,15)10-3-1-2-9(8-10)4-5-11(18)16-6-7-17/h1-5,8,17H,6-7H2,(H,16,18)/b5-4+
InChIKey
CUYOOCIEQVMNKI-SNAWJCMRSA-N
Compound name
(E)-N-(2-hydroxyethyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

259.082 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.08928 159.3
[M+Na]+ 282.07122 166.2
[M+NH4]+ 277.11582 163.2
[M+K]+ 298.04516 161.5
[M-H]- 258.07472 155.2
[M+Na-2H]- 280.05667 161.7
[M]+ 259.08145 158.6
[M]- 259.08255 158.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.