CID 6435516

Brn 6516071

Structural Information

Molecular Formula
C14H16F3NO2
SMILES
CCC(CNC(=O)/C=C/C1=CC(=CC=C1)C(F)(F)F)O
InChI
InChI=1S/C14H16F3NO2/c1-2-12(19)9-18-13(20)7-6-10-4-3-5-11(8-10)14(15,16)17/h3-8,12,19H,2,9H2,1H3,(H,18,20)/b7-6+
InChIKey
WUZSPEXDOAPEGT-VOTSOKGWSA-N
Compound name
(E)-N-(2-hydroxybutyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

287.1133 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.12058 164.0
[M+Na]+ 310.10252 169.7
[M-H]- 286.10602 161.8
[M+NH4]+ 305.14712 178.6
[M+K]+ 326.07646 165.5
[M+H-H2O]+ 270.11056 155.1
[M+HCOO]- 332.11150 180.5
[M+CH3COO]- 346.12715 200.4
[M+Na-2H]- 308.08797 165.0
[M]+ 287.11275 159.3
[M]- 287.11385 159.3
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.