CID 5148192

3,3'-thiodipropiophenone

Structural Information

Molecular Formula
C18H18O2S
SMILES
C1=CC=C(C=C1)C(=O)CCSCCC(=O)C2=CC=CC=C2
InChI
InChI=1S/C18H18O2S/c19-17(15-7-3-1-4-8-15)11-13-21-14-12-18(20)16-9-5-2-6-10-16/h1-10H,11-14H2
InChIKey
FEKPPNWLRHDBLQ-UHFFFAOYSA-N
Compound name
3-(3-oxo-3-phenylpropyl)sulfanyl-1-phenylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.10275 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.11003 169.0
[M+Na]+ 321.09197 182.0
[M+NH4]+ 316.13657 177.4
[M+K]+ 337.06591 171.8
[M-H]- 297.09547 173.3
[M+Na-2H]- 319.07742 177.3
[M]+ 298.10220 172.6
[M]- 298.10330 172.6
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.