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 153.4
[M+Na]+ 306.10762 160.5
[M-H]- 282.11112 156.7
[M+NH4]+ 301.15222 164.1
[M+K]+ 322.08156 156.0
[M+H-H2O]+ 266.11566 144.2
[M+HCOO]- 328.11660 170.8
[M+CH3COO]- 342.13225 205.5
[M+Na-2H]- 304.09307 154.7
[M]+ 283.11785 150.5
[M]- 283.11895 150.5
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.