CID 244708

9-phenyl-9h-thioxanthen-9-ol 10,10-dioxide

Structural Information

Molecular Formula
C19H14O3S
SMILES
C1=CC=C(C=C1)C2(C3=CC=CC=C3S(=O)(=O)C4=CC=CC=C42)O
InChI
InChI=1S/C19H14O3S/c20-19(14-8-2-1-3-9-14)15-10-4-6-12-17(15)23(21,22)18-13-7-5-11-16(18)19/h1-13,20H
InChIKey
LBVZDBOJWNAZQS-UHFFFAOYSA-N
Compound name
10,10-dioxo-9-phenylthioxanthen-9-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

322.06638 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.07366 171.6
[M+Na]+ 345.05560 182.5
[M-H]- 321.05910 179.2
[M+NH4]+ 340.10020 191.4
[M+K]+ 361.02954 176.2
[M+H-H2O]+ 305.06364 163.7
[M+HCOO]- 367.06458 186.8
[M+CH3COO]- 381.08023 183.3
[M+Na-2H]- 343.04105 179.9
[M]+ 322.06583 173.9
[M]- 322.06693 173.9
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

No patent data available for this compound.