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 159.8
[M+Na]+ 297.07198 167.7
[M-H]- 273.07548 165.3
[M+NH4]+ 292.11658 176.6
[M+K]+ 313.04592 162.4
[M+H-H2O]+ 257.08002 151.6
[M+HCOO]- 319.08096 176.7
[M+CH3COO]- 333.09661 198.7
[M+Na-2H]- 295.05743 160.7
[M]+ 274.08221 161.7
[M]- 274.08331 161.7
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.