CID 458354

4-methoxydibenzothiophene

Structural Information

Molecular Formula
C13H10OS
SMILES
COC1=CC=CC2=C1SC3=CC=CC=C23
InChI
InChI=1S/C13H10OS/c1-14-11-7-4-6-10-9-5-2-3-8-12(9)15-13(10)11/h2-8H,1H3
InChIKey
XISNFPLKXUIFRL-UHFFFAOYSA-N
Compound name
4-methoxydibenzothiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

214.04524 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.05252 142.4
[M+Na]+ 237.03446 154.5
[M-H]- 213.03796 149.3
[M+NH4]+ 232.07906 166.4
[M+K]+ 253.00840 150.1
[M+H-H2O]+ 197.04250 137.5
[M+HCOO]- 259.04344 163.0
[M+CH3COO]- 273.05909 157.5
[M+Na-2H]- 235.01991 148.9
[M]+ 214.04469 148.5
[M]- 214.04579 148.5
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.