CID 11149469

N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methylprop-2-enamide

Structural Information

Molecular Formula
C12H9F3N2O
SMILES
CC(=C)C(=O)NC1=CC(=C(C=C1)C#N)C(F)(F)F
InChI
InChI=1S/C12H9F3N2O/c1-7(2)11(18)17-9-4-3-8(6-16)10(5-9)12(13,14)15/h3-5H,1H2,2H3,(H,17,18)
InChIKey
HHWDZLSGDDXUSM-UHFFFAOYSA-N
Compound name
N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methylprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

257
Patents

254.0667 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.07398 154.6
[M+Na]+ 277.05592 163.8
[M-H]- 253.05942 154.2
[M+NH4]+ 272.10052 169.5
[M+K]+ 293.02986 160.3
[M+H-H2O]+ 237.06396 139.9
[M+HCOO]- 299.06490 169.8
[M+CH3COO]- 313.08055 208.5
[M+Na-2H]- 275.04137 156.0
[M]+ 254.06615 145.1
[M]- 254.06725 145.1
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

patents stripe