CID 70360

Phenoxathiin, 10-oxide

Structural Information

Molecular Formula
C12H8O2S
SMILES
C1=CC=C2C(=C1)OC3=CC=CC=C3S2=O
InChI
InChI=1S/C12H8O2S/c13-15-11-7-3-1-5-9(11)14-10-6-2-4-8-12(10)15/h1-8H
InChIKey
ZESLIAUQVGLCIA-UHFFFAOYSA-N
Compound name
phenoxathiine 10-oxide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

159
Patents

216.0245 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.03178 138.3
[M+Na]+ 239.01372 148.9
[M-H]- 215.01722 145.1
[M+NH4]+ 234.05832 158.6
[M+K]+ 254.98766 145.9
[M+H-H2O]+ 199.02176 132.6
[M+HCOO]- 261.02270 155.2
[M+CH3COO]- 275.03835 152.5
[M+Na-2H]- 236.99917 147.3
[M]+ 216.02395 141.4
[M]- 216.02505 141.4
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