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 163.7
[M+Na]+ 313.06689 171.4
[M-H]- 289.07039 169.1
[M+NH4]+ 308.11149 179.7
[M+K]+ 329.04083 166.6
[M+H-H2O]+ 273.07493 155.2
[M+HCOO]- 335.07587 180.8
[M+CH3COO]- 349.09152 200.7
[M+Na-2H]- 311.05234 164.6
[M]+ 290.07712 166.9
[M]- 290.07822 166.9
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.