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

literature stripe

Patent stripe

patents stripe