CID 13493128

2-benzyl-1lambda6,2-thiazolidine-1,1-dione

Structural Information

Molecular Formula
C10H13NO2S
SMILES
C1CN(S(=O)(=O)C1)CC2=CC=CC=C2
InChI
InChI=1S/C10H13NO2S/c12-14(13)8-4-7-11(14)9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2
InChIKey
TZKMAPDWYRGEOB-UHFFFAOYSA-N
Compound name
2-benzyl-1,2-thiazolidine 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

211.0667 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.07398 143.4
[M+Na]+ 234.05592 152.5
[M-H]- 210.05942 149.2
[M+NH4]+ 229.10052 165.1
[M+K]+ 250.02986 149.4
[M+H-H2O]+ 194.06396 137.4
[M+HCOO]- 256.06490 161.6
[M+CH3COO]- 270.08055 180.2
[M+Na-2H]- 232.04137 146.4
[M]+ 211.06615 144.2
[M]- 211.06725 144.2
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