CID 16642518

927995-93-5

Structural Information

Molecular Formula
C9H11ClN2O2S
SMILES
C1CN(S(=O)(=O)C1)C2=CC(=C(C=C2)Cl)N
InChI
InChI=1S/C9H11ClN2O2S/c10-8-3-2-7(6-9(8)11)12-4-1-5-15(12,13)14/h2-3,6H,1,4-5,11H2
InChIKey
OTNHGXJKIQCVEM-UHFFFAOYSA-N
Compound name
2-chloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.02298 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.03026 149.1
[M+Na]+ 269.01220 160.9
[M+NH4]+ 264.05680 158.8
[M+K]+ 284.98614 152.7
[M-H]- 245.01570 151.9
[M+Na-2H]- 266.99765 156.3
[M]+ 246.02243 152.3
[M]- 246.02353 152.3
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.