CID 3033650

Brn 5064550

Structural Information

Molecular Formula
C15H16F3NO
SMILES
C/C(=C(/C)\C(=O)NCC=C)/C1=CC(=CC=C1)C(F)(F)F
InChI
InChI=1S/C15H16F3NO/c1-4-8-19-14(20)11(3)10(2)12-6-5-7-13(9-12)15(16,17)18/h4-7,9H,1,8H2,2-3H3,(H,19,20)/b11-10+
InChIKey
MQNUGPTXEQZQSN-ZHACJKMWSA-N
Compound name
(E)-2-methyl-N-prop-2-enyl-3-[3-(trifluoromethyl)phenyl]but-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

283.1184 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.12568 163.3
[M+Na]+ 306.10762 169.2
[M-H]- 282.11112 162.5
[M+NH4]+ 301.15222 178.8
[M+K]+ 322.08156 165.0
[M+H-H2O]+ 266.11566 154.5
[M+HCOO]- 328.11660 180.0
[M+CH3COO]- 342.13225 203.9
[M+Na-2H]- 304.09307 163.2
[M]+ 283.11785 158.1
[M]- 283.11895 158.1
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.