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 163.6
[M+Na]+ 310.06722 171.0
[M-H]- 286.07072 169.0
[M+NH4]+ 305.11182 179.5
[M+K]+ 326.04116 164.9
[M+H-H2O]+ 270.07526 155.1
[M+HCOO]- 332.07620 181.7
[M+CH3COO]- 346.09185 201.4
[M+Na-2H]- 308.05267 165.0
[M]+ 287.07745 163.8
[M]- 287.07855 163.8
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.