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

3037
Patents

200.02959 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.036866 138.1
[M+Na]+ 223.018808 149.9
[M-H]- 199.022314 144.7
[M+NH4]+ 218.063413 162.5
[M+K]+ 238.992748 145.3
[M+H-H2O]+ 183.026850 133.5
[M+HCOO]- 245.027791 157.8
[M+CH3COO]- 259.043441 153.1
[M+Na-2H]- 221.004256 144.1
[M]+ 200.02904142 141.7
[M]- 200.03013858 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

literature stripe

Patent stripe

patents stripe