CID 2060421

882748-97-2

Structural Information

Molecular Formula
C17H16FNOS
SMILES
CSC1=CC=C(C=C1)/C=C/C(=O)NCC2=CC=C(C=C2)F
InChI
InChI=1S/C17H16FNOS/c1-21-16-9-4-13(5-10-16)6-11-17(20)19-12-14-2-7-15(18)8-3-14/h2-11H,12H2,1H3,(H,19,20)/b11-6+
InChIKey
SWEYCBYVOFGREZ-IZZDOVSWSA-N
Compound name
(E)-N-[(4-fluorophenyl)methyl]-3-(4-methylsulfanylphenyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.09366 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.10094 168.0
[M+Na]+ 324.08288 175.0
[M-H]- 300.08638 173.2
[M+NH4]+ 319.12748 183.4
[M+K]+ 340.05682 168.6
[M+H-H2O]+ 284.09092 159.3
[M+HCOO]- 346.09186 185.8
[M+CH3COO]- 360.10751 204.4
[M+Na-2H]- 322.06833 168.9
[M]+ 301.09311 168.6
[M]- 301.09421 168.6
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.