CID 4298461

882748-94-9

Structural Information

Molecular Formula
C20H20F2O2S2
SMILES
C1=CC(=CC=C1C(=O)CCSCCSCCC(=O)C2=CC=C(C=C2)F)F
InChI
InChI=1S/C20H20F2O2S2/c21-17-5-1-15(2-6-17)19(23)9-11-25-13-14-26-12-10-20(24)16-3-7-18(22)8-4-16/h1-8H,9-14H2
InChIKey
VSXVLRHIBRQJOW-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-3-[2-[3-(4-fluorophenyl)-3-oxopropyl]sulfanylethylsulfanyl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.08728 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.09456 187.0
[M+Na]+ 417.07650 192.5
[M-H]- 393.08000 189.5
[M+NH4]+ 412.12110 198.5
[M+K]+ 433.05044 184.8
[M+H-H2O]+ 377.08454 176.8
[M+HCOO]- 439.08548 195.1
[M+CH3COO]- 453.10113 219.1
[M+Na-2H]- 415.06195 183.0
[M]+ 394.08673 190.0
[M]- 394.08783 190.0
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.