CID 70394

4,4'-dimethoxythiobenzophenone

Structural Information

Molecular Formula

C₁₅H₁₄O₂S

SMILES

COC1=CC=C(C=C1)C(=S)C2=CC=C(C=C2)OC

InChI

InChI=1S/C15H14O2S/c1-16-13-7-3-11(4-8-13)15(18)12-5-9-14(17-2)10-6-12/h3-10H,1-2H3

InChIKey

TUKGAYSGFQWDBC-UHFFFAOYSA-N

Compound name

bis(4-methoxyphenyl)methanethione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 51
Patents: 258.07144 Da
Monoisotopic Mass: 3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	259.078716	156.4
[M+Na]+	281.060658	164.6
[M-H]-	257.064164	163.6
[M+NH4]+	276.105263	173.9
[M+K]+	297.034598	160.6
[M+H-H2O]+	241.068700	149.3
[M+HCOO]-	303.069641	175.0
[M+CH3COO]-	317.085291	195.1
[M+Na-2H]-	279.046106	158.5
[M]+	258.07089142	160.4
[M]-	258.07198858	160.4

Literature stripe

literature stripe

Patent stripe

patents stripe