CID 24688938

1016508-33-0

Structural Information

Molecular Formula
C10H10ClNO4S
SMILES
C1CN(S(=O)(=O)C1)C2=C(C=CC(=C2)C(=O)O)Cl
InChI
InChI=1S/C10H10ClNO4S/c11-8-3-2-7(10(13)14)6-9(8)12-4-1-5-17(12,15)16/h2-3,6H,1,4-5H2,(H,13,14)
InChIKey
QDMSNROYDXEZFO-UHFFFAOYSA-N
Compound name
4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.0019 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.009176 153.3
[M+Na]+ 297.991118 163.7
[M-H]- 273.994624 158.4
[M+NH4]+ 293.035723 172.7
[M+K]+ 313.965058 159.1
[M+H-H2O]+ 257.999160 149.1
[M+HCOO]- 320.000101 164.9
[M+CH3COO]- 334.015751 188.1
[M+Na-2H]- 295.976566 153.9
[M]+ 275.00135142 156.6
[M]- 275.00244858 156.6
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.