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 154.7
[M+Na]+ 282.07122 161.5
[M-H]- 258.07472 152.8
[M+NH4]+ 277.11582 170.5
[M+K]+ 298.04516 157.3
[M+H-H2O]+ 242.07926 146.1
[M+HCOO]- 304.08020 172.8
[M+CH3COO]- 318.09585 193.5
[M+Na-2H]- 280.05667 158.0
[M]+ 259.08145 149.9
[M]- 259.08255 149.9
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.