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]+ 276.00918 153.3
[M+Na]+ 297.99112 163.7
[M-H]- 273.99462 158.4
[M+NH4]+ 293.03572 172.7
[M+K]+ 313.96506 159.1
[M+H-H2O]+ 257.99916 149.1
[M+HCOO]- 320.00010 164.9
[M+CH3COO]- 334.01575 188.1
[M+Na-2H]- 295.97657 153.9
[M]+ 275.00135 156.6
[M]- 275.00245 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.