CID 4346596

882748-88-1

Structural Information

Molecular Formula
C16H15ClO2S
SMILES
COC1=CC=C(C=C1)C(=O)CCSC2=CC=C(C=C2)Cl
InChI
InChI=1S/C16H15ClO2S/c1-19-14-6-2-12(3-7-14)16(18)10-11-20-15-8-4-13(17)5-9-15/h2-9H,10-11H2,1H3
InChIKey
JANXBRNEOGHOIF-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)sulfanyl-1-(4-methoxyphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.04813 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.05541 167.6
[M+Na]+ 329.03735 182.9
[M+NH4]+ 324.08195 177.0
[M+K]+ 345.01129 171.9
[M-H]- 305.04085 172.6
[M+Na-2H]- 327.02280 176.4
[M]+ 306.04758 172.2
[M]- 306.04868 172.2
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.