CID 13898

Dibenzothiophene 5-oxide

Structural Information

Molecular Formula
C12H8OS
SMILES
C1=CC=C2C(=C1)C3=CC=CC=C3S2=O
InChI
InChI=1S/C12H8OS/c13-14-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h1-8H
InChIKey
NGDPCAMPVQYGCW-UHFFFAOYSA-N
Compound name
dibenzothiophene 5-oxide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

29
References

2958
Patents

200.02959 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.03687 138.1
[M+Na]+ 223.01881 149.9
[M-H]- 199.02231 144.7
[M+NH4]+ 218.06341 162.5
[M+K]+ 238.99275 145.3
[M+H-H2O]+ 183.02685 133.5
[M+HCOO]- 245.02779 157.8
[M+CH3COO]- 259.04344 153.1
[M+Na-2H]- 221.00426 144.1
[M]+ 200.02904 141.7
[M]- 200.03014 141.7
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.