CID 130474

125518-46-9

Structural Information

Molecular Formula
C13H9NO4S2
SMILES
C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)C3C(=O)NC(=O)S3
InChI
InChI=1S/C13H9NO4S2/c15-11-12(19-13(16)14-11)20(17,18)10-6-5-8-3-1-2-4-9(8)7-10/h1-7,12H,(H,14,15,16)
InChIKey
ITLAZBMGSXRIEF-UHFFFAOYSA-N
Compound name
5-naphthalen-2-ylsulfonyl-1,3-thiazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

787
Patents

306.9973 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.00458 166.8
[M+Na]+ 329.98652 176.8
[M-H]- 305.99002 172.0
[M+NH4]+ 325.03112 183.2
[M+K]+ 345.96046 170.7
[M+H-H2O]+ 289.99456 161.8
[M+HCOO]- 351.99550 176.3
[M+CH3COO]- 366.01115 194.9
[M+Na-2H]- 327.97197 168.6
[M]+ 306.99675 168.4
[M]- 306.99785 168.4
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