CID 380746

Nsc666453

Structural Information

Molecular Formula
C16H12Cl2N2O5S2
SMILES
C1C(=O)N(C(S1)C2=C(C=C(C=C2)Cl)Cl)NS(=O)(=O)C3=CC=CC(=C3)C(=O)O
InChI
InChI=1S/C16H12Cl2N2O5S2/c17-10-4-5-12(13(18)7-10)15-20(14(21)8-26-15)19-27(24,25)11-3-1-2-9(6-11)16(22)23/h1-7,15,19H,8H2,(H,22,23)
InChIKey
IBTOSTKIDLKSIR-UHFFFAOYSA-N
Compound name
3-[[2-(2,4-dichlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]sulfamoyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

445.95648 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.96376 194.6
[M+Na]+ 468.94570 203.3
[M-H]- 444.94920 202.1
[M+NH4]+ 463.99030 205.3
[M+K]+ 484.91964 196.1
[M+H-H2O]+ 428.95374 189.9
[M+HCOO]- 490.95468 195.4
[M+CH3COO]- 504.97033 220.0
[M+Na-2H]- 466.93115 192.9
[M]+ 445.95593 199.6
[M]- 445.95703 199.6
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.