CID 15415140

320393-23-5

Structural Information

Molecular Formula
C9H11NO2S
SMILES
C1C(CS(=O)(=O)N1)C2=CC=CC=C2
InChI
InChI=1S/C9H11NO2S/c11-13(12)7-9(6-10-13)8-4-2-1-3-5-8/h1-5,9-10H,6-7H2
InChIKey
CAGITIWEIXFGFH-UHFFFAOYSA-N
Compound name
4-phenyl-1,2-thiazolidine 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

197.05106 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.058336 139.5
[M+Na]+ 220.040278 148.6
[M-H]- 196.043784 144.1
[M+NH4]+ 215.084883 161.1
[M+K]+ 236.014218 144.9
[M+H-H2O]+ 180.048320 134.1
[M+HCOO]- 242.049261 156.6
[M+CH3COO]- 256.064911 152.7
[M+Na-2H]- 218.025726 142.7
[M]+ 197.05051142 138.2
[M]- 197.05160858 138.2
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

patents stripe