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 164.3
[M+Na]+ 304.09197 172.1
[M-H]- 280.09547 162.2
[M+NH4]+ 299.13657 177.8
[M+K]+ 320.06591 167.2
[M+H-H2O]+ 264.10001 149.8
[M+HCOO]- 326.10095 175.7
[M+CH3COO]- 340.11660 208.9
[M+Na-2H]- 302.07742 163.2
[M]+ 281.10220 153.9
[M]- 281.10330 153.9
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.