CID 6082002

N-(4-fluorophenyl)-3-(4-(methylthio)phenyl)acrylamide

Structural Information

Molecular Formula
C16H14FNOS
SMILES
CSC1=CC=C(C=C1)/C=C/C(=O)NC2=CC=C(C=C2)F
InChI
InChI=1S/C16H14FNOS/c1-20-15-9-2-12(3-10-15)4-11-16(19)18-14-7-5-13(17)6-8-14/h2-11H,1H3,(H,18,19)/b11-4+
InChIKey
GHGIUHFIQSNOLU-NYYWCZLTSA-N
Compound name
(E)-N-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.078 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.08528 165.1
[M+Na]+ 310.06722 177.7
[M+NH4]+ 305.11182 173.1
[M+K]+ 326.04116 167.5
[M-H]- 286.07072 168.8
[M+Na-2H]- 308.05267 172.9
[M]+ 287.07745 168.3
[M]- 287.07855 168.3
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.