CID 2164078

3-(2-thienyl)-n-(3-(trifluoromethyl)phenyl)-2-propenamide

Structural Information

Molecular Formula
C14H10F3NOS
SMILES
C1=CC(=CC(=C1)NC(=O)/C=C/C2=CC=CS2)C(F)(F)F
InChI
InChI=1S/C14H10F3NOS/c15-14(16,17)10-3-1-4-11(9-10)18-13(19)7-6-12-5-2-8-20-12/h1-9H,(H,18,19)/b7-6+
InChIKey
PGIXLTUXBFQTRA-VOTSOKGWSA-N
Compound name
(E)-3-thiophen-2-yl-N-[3-(trifluoromethyl)phenyl]prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

297.04352 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.05080 163.1
[M+Na]+ 320.03274 171.1
[M-H]- 296.03624 166.2
[M+NH4]+ 315.07734 180.3
[M+K]+ 336.00668 165.4
[M+H-H2O]+ 280.04078 154.0
[M+HCOO]- 342.04172 179.1
[M+CH3COO]- 356.05737 199.2
[M+Na-2H]- 318.01819 163.4
[M]+ 297.04297 160.5
[M]- 297.04407 160.5
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.