CID 6447500

76691-26-4

Structural Information

Molecular Formula
C16H13ClFNO
SMILES
C/C(=C\C1=CC=C(C=C1)Cl)/C(=O)NC2=CC(=CC=C2)F
InChI
InChI=1S/C16H13ClFNO/c1-11(9-12-5-7-13(17)8-6-12)16(20)19-15-4-2-3-14(18)10-15/h2-10H,1H3,(H,19,20)/b11-9+
InChIKey
TYFRXLAPMUTPEZ-PKNBQFBNSA-N
Compound name
(E)-3-(4-chlorophenyl)-N-(3-fluorophenyl)-2-methylprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.06696 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.07424 164.5
[M+Na]+ 312.05618 178.2
[M+NH4]+ 307.10078 172.3
[M+K]+ 328.03012 169.9
[M-H]- 288.05968 167.8
[M+Na-2H]- 310.04163 172.7
[M]+ 289.06641 167.6
[M]- 289.06751 167.6
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.