CID 3033651

Brn 5064542

Structural Information

Molecular Formula
C15H14F3NO
SMILES
C/C(=C(/C)\C(=O)NCC#C)/C1=CC(=CC=C1)C(F)(F)F
InChI
InChI=1S/C15H14F3NO/c1-4-8-19-14(20)11(3)10(2)12-6-5-7-13(9-12)15(16,17)18/h1,5-7,9H,8H2,2-3H3,(H,19,20)/b11-10+
InChIKey
OYHDEIRBBIGPPP-ZHACJKMWSA-N
Compound name
(E)-2-methyl-N-prop-2-ynyl-3-[3-(trifluoromethyl)phenyl]but-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

281.10275 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.11003 168.4
[M+Na]+ 304.09197 176.2
[M+NH4]+ 299.13657 169.4
[M+K]+ 320.06591 167.8
[M-H]- 280.09547 157.1
[M+Na-2H]- 302.07742 167.7
[M]+ 281.10220 165.2
[M]- 281.10330 165.2
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.