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

8184
Patents

216.0245 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.03178 142.0
[M+Na]+ 239.01372 154.8
[M-H]- 215.01722 148.9
[M+NH4]+ 234.05832 167.6
[M+K]+ 254.98766 150.2
[M+H-H2O]+ 199.02176 137.5
[M+HCOO]- 261.02270 162.0
[M+CH3COO]- 275.03835 157.2
[M+Na-2H]- 236.99917 149.4
[M]+ 216.02395 146.7
[M]- 216.02505 146.7
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