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

2
Annotation Hits: 15
References: 7853
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]+	217.03178	142.5
[M+Na]+	239.01372	157.3
[M+NH4]+	234.05832	154.7
[M+K]+	254.98766	147.1
[M-H]-	215.01722	146.0
[M+Na-2H]-	236.99917	150.9
[M]+	216.02395	146.4
[M]-	216.02505	146.4

Literature stripe

literature stripe

Patent stripe

patents stripe