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
1
Annotation Hits

0
References

51
Patents

258.07144 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.07872 156.4
[M+Na]+ 281.06066 164.6
[M-H]- 257.06416 163.6
[M+NH4]+ 276.10526 173.9
[M+K]+ 297.03460 160.6
[M+H-H2O]+ 241.06870 149.3
[M+HCOO]- 303.06964 175.0
[M+CH3COO]- 317.08529 195.1
[M+Na-2H]- 279.04611 158.5
[M]+ 258.07089 160.4
[M]- 258.07199 160.4
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