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]+ 230.07872 152.7
[M+Na]+ 252.06066 160.8
[M+NH4]+ 247.10526 157.6
[M+K]+ 268.03460 155.4
[M-H]- 228.06416 149.6
[M+Na-2H]- 250.04611 156.2
[M]+ 229.07089 152.5
[M]- 229.07199 152.5
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.