CID 3033649

2-butenamide, n-cyclopropyl-2-methyl-3-(3-(trifluoromethyl)phenyl)-, (e)-

Structural Information

Molecular Formula
C15H16F3NO
SMILES
C/C(=C(/C)\C(=O)NC1CC1)/C2=CC(=CC=C2)C(F)(F)F
InChI
InChI=1S/C15H16F3NO/c1-9(10(2)14(20)19-13-6-7-13)11-4-3-5-12(8-11)15(16,17)18/h3-5,8,13H,6-7H2,1-2H3,(H,19,20)/b10-9+
InChIKey
LTMJIRRSCNJXDH-MDZDMXLPSA-N
Compound name
(E)-N-cyclopropyl-2-methyl-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

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.12568 168.7
[M+Na]+ 306.10762 175.9
[M+NH4]+ 301.15222 173.5
[M+K]+ 322.08156 173.2
[M-H]- 282.11112 172.4
[M+Na-2H]- 304.09307 173.6
[M]+ 283.11785 171.2
[M]- 283.11895 171.2
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.