CID 310100

3'-(trifluoromethyl)-2-butenanilide

Structural Information

Molecular Formula
C11H10F3NO
SMILES
CC=CC(=O)NC1=CC=CC(=C1)C(F)(F)F
InChI
InChI=1S/C11H10F3NO/c1-2-4-10(16)15-9-6-3-5-8(7-9)11(12,13)14/h2-7H,1H3,(H,15,16)
InChIKey
YMUJNXBVYSCKFI-UHFFFAOYSA-N
Compound name
N-[3-(trifluoromethyl)phenyl]but-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.07144 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.078716 146.5
[M+Na]+ 252.060658 154.3
[M-H]- 228.064164 146.3
[M+NH4]+ 247.105263 164.4
[M+K]+ 268.034598 150.7
[M+H-H2O]+ 212.068700 138.2
[M+HCOO]- 274.069641 166.3
[M+CH3COO]- 288.085291 191.0
[M+Na-2H]- 250.046106 150.9
[M]+ 229.07089142 141.8
[M]- 229.07198858 141.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.