CID 3303590

892154-97-1

Structural Information

Molecular Formula
C16H15FOS
SMILES
CC1=CC=C(C=C1)SCCC(=O)C2=CC=C(C=C2)F
InChI
InChI=1S/C16H15FOS/c1-12-2-8-15(9-3-12)19-11-10-16(18)13-4-6-14(17)7-5-13/h2-9H,10-11H2,1H3
InChIKey
LIFUNTXRFAWASE-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-3-(4-methylphenyl)sulfanylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.08276 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.09004 162.0
[M+Na]+ 297.07198 175.9
[M+NH4]+ 292.11658 170.9
[M+K]+ 313.04592 165.4
[M-H]- 273.07548 165.8
[M+Na-2H]- 295.05743 170.3
[M]+ 274.08221 165.7
[M]- 274.08331 165.7
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.