CID 165461641

2137648-56-5

Structural Information

Molecular Formula
C9H10ClNO2S
SMILES
C1CS(=O)(=O)NC1C2=CC=C(C=C2)Cl
InChI
InChI=1S/C9H10ClNO2S/c10-8-3-1-7(2-4-8)9-5-6-14(12,13)11-9/h1-4,9,11H,5-6H2
InChIKey
YHHWUULRXDCGCS-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)-1,2-thiazolidine 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.01208 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.01936 144.9
[M+Na]+ 254.00130 155.5
[M-H]- 230.00480 149.8
[M+NH4]+ 249.04590 166.3
[M+K]+ 269.97524 150.0
[M+H-H2O]+ 214.00934 140.4
[M+HCOO]- 276.01028 157.3
[M+CH3COO]- 290.02593 158.1
[M+Na-2H]- 251.98675 147.0
[M]+ 231.01153 145.8
[M]- 231.01263 145.8
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.