CID 10108176

63675-73-0

Structural Information

Molecular Formula
C16H16O3S
SMILES
COC1=CC=C(C=C1)C(=O)CSC2=CC=CC(=C2)OC
InChI
InChI=1S/C16H16O3S/c1-18-13-8-6-12(7-9-13)16(17)11-20-15-5-3-4-14(10-15)19-2/h3-10H,11H2,1-2H3
InChIKey
CXSKVBXJDSVPKS-UHFFFAOYSA-N
Compound name
1-(4-methoxyphenyl)-2-(3-methoxyphenyl)sulfanylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

119
Patents

288.082 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.08928 164.4
[M+Na]+ 311.07122 178.4
[M+NH4]+ 306.11582 172.9
[M+K]+ 327.04516 168.8
[M-H]- 287.07472 168.8
[M+Na-2H]- 309.05667 172.7
[M]+ 288.08145 168.2
[M]- 288.08255 168.2
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

patents stripe