CID 5197889

477334-44-4

Structural Information

Molecular Formula
C16H15FO2S
SMILES
COC1=CC=C(C=C1)C(=O)CCSC2=CC=C(C=C2)F
InChI
InChI=1S/C16H15FO2S/c1-19-14-6-2-12(3-7-14)16(18)10-11-20-15-8-4-13(17)5-9-15/h2-9H,10-11H2,1H3
InChIKey
WNLVFMRPOMKBPE-UHFFFAOYSA-N
Compound name
3-(4-fluorophenyl)sulfanyl-1-(4-methoxyphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.07767 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.08495 165.4
[M+Na]+ 313.06689 178.7
[M+NH4]+ 308.11149 173.6
[M+K]+ 329.04083 168.8
[M-H]- 289.07039 168.6
[M+Na-2H]- 311.05234 173.2
[M]+ 290.07712 168.7
[M]- 290.07822 168.7
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.