CID 6434872

Trans-n-cyclopropyl-m-trifluoromethylcinnamamide

Structural Information

Molecular Formula
C13H12F3NO
SMILES
C1CC1NC(=O)/C=C/C2=CC(=CC=C2)C(F)(F)F
InChI
InChI=1S/C13H12F3NO/c14-13(15,16)10-3-1-2-9(8-10)4-7-12(18)17-11-5-6-11/h1-4,7-8,11H,5-6H2,(H,17,18)/b7-4+
InChIKey
HQAQWHHPDKFGLV-QPJJXVBHSA-N
Compound name
(E)-N-cyclopropyl-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

13
Patents

255.0871 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.09438 161.5
[M+Na]+ 278.07632 169.8
[M+NH4]+ 273.12092 166.8
[M+K]+ 294.05026 166.0
[M-H]- 254.07982 165.7
[M+Na-2H]- 276.06177 167.5
[M]+ 255.08655 164.4
[M]- 255.08765 164.4
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

patents stripe