CID 47003334

1240529-01-4

Structural Information

Molecular Formula
C9H10ClNO4S2
SMILES
C1CN(S(=O)(=O)C1)C2=CC=C(C=C2)S(=O)(=O)Cl
InChI
InChI=1S/C9H10ClNO4S2/c10-17(14,15)9-4-2-8(3-5-9)11-6-1-7-16(11,12)13/h2-5H,1,6-7H2
InChIKey
NBMRNUHOCZZUFW-UHFFFAOYSA-N
Compound name
4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

294.97397 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.98125 159.6
[M+Na]+ 317.96319 170.6
[M-H]- 293.96669 165.8
[M+NH4]+ 313.00779 178.9
[M+K]+ 333.93713 165.5
[M+H-H2O]+ 277.97123 155.9
[M+HCOO]- 339.97217 167.3
[M+CH3COO]- 353.98782 189.8
[M+Na-2H]- 315.94864 162.0
[M]+ 294.97342 164.1
[M]- 294.97452 164.1
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

patents stripe