CID 10108176

1-(4-methoxyphenyl)-2-((3-methoxyphenyl)thio)ethanone

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

125
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 164.7
[M+Na]+ 311.07122 172.2
[M-H]- 287.07472 171.6
[M+NH4]+ 306.11582 180.7
[M+K]+ 327.04516 168.5
[M+H-H2O]+ 271.07926 157.0
[M+HCOO]- 333.08020 183.1
[M+CH3COO]- 347.09585 200.1
[M+Na-2H]- 309.05667 166.3
[M]+ 288.08145 170.4
[M]- 288.08255 170.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe