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 148.4
[M+Na]+ 269.01220 159.2
[M-H]- 245.01570 154.3
[M+NH4]+ 264.05680 169.5
[M+K]+ 284.98614 154.1
[M+H-H2O]+ 229.02024 143.6
[M+HCOO]- 291.02118 162.5
[M+CH3COO]- 305.03683 187.5
[M+Na-2H]- 266.99765 150.0
[M]+ 246.02243 149.8
[M]- 246.02353 149.8
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.