CID 3654940

477334-43-3

Structural Information

Molecular Formula
C15H12F2OS
SMILES
C1=CC(=CC=C1C(=O)CCSC2=CC=C(C=C2)F)F
InChI
InChI=1S/C15H12F2OS/c16-12-3-1-11(2-4-12)15(18)9-10-19-14-7-5-13(17)6-8-14/h1-8H,9-10H2
InChIKey
LWHRFLYQNNEMSY-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-3-(4-fluorophenyl)sulfanylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.05768 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.06496 158.0
[M+Na]+ 301.04690 166.3
[M-H]- 277.05040 162.2
[M+NH4]+ 296.09150 174.5
[M+K]+ 317.02084 160.7
[M+H-H2O]+ 261.05494 148.9
[M+HCOO]- 323.05588 174.2
[M+CH3COO]- 337.07153 198.4
[M+Na-2H]- 299.03235 158.8
[M]+ 278.05713 158.4
[M]- 278.05823 158.4
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.