CID 458325

3-chlorophenoxathiine 10,10-dioxide

Structural Information

Molecular Formula
C12H7ClO3S
SMILES
C1=CC=C2C(=C1)OC3=C(S2(=O)=O)C=CC(=C3)Cl
InChI
InChI=1S/C12H7ClO3S/c13-8-5-6-12-10(7-8)16-9-3-1-2-4-11(9)17(12,14)15/h1-7H
InChIKey
WDBRFJZHVTWPIW-UHFFFAOYSA-N
Compound name
3-chlorophenoxathiine 10,10-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.98044 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.98772 147.6
[M+Na]+ 288.96966 160.6
[M-H]- 264.97316 154.9
[M+NH4]+ 284.01426 168.9
[M+K]+ 304.94360 156.5
[M+H-H2O]+ 248.97770 143.1
[M+HCOO]- 310.97864 160.2
[M+CH3COO]- 324.99429 161.9
[M+Na-2H]- 286.95511 156.8
[M]+ 265.97989 154.4
[M]- 265.98099 154.4
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.