CID 13908

Dibenzothiophene sulfone

Structural Information

Molecular Formula

C₁₂H₈O₂S

SMILES

C1=CC=C2C(=C1)C3=CC=CC=C3S2(=O)=O

InChI

InChI=1S/C12H8O2S/c13-15(14)11-7-3-1-5-9(11)10-6-2-4-8-12(10)15/h1-8H

InChIKey

IKJFYINYNJYDTA-UHFFFAOYSA-N

Compound name

dibenzothiophene 5,5-dioxide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 15
References: 7982
Patents: 216.0245 Da
Monoisotopic Mass: 2.4
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]+	217.031776	142.0
[M+Na]+	239.013718	154.8
[M-H]-	215.017224	148.9
[M+NH4]+	234.058323	167.6
[M+K]+	254.987658	150.2
[M+H-H2O]+	199.021760	137.5
[M+HCOO]-	261.022701	162.0
[M+CH3COO]-	275.038351	157.2
[M+Na-2H]-	236.999166	149.4
[M]+	216.02395142	146.7
[M]-	216.02504858	146.7

Literature stripe

literature stripe

Patent stripe

patents stripe