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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	247.030256	148.4
[M+Na]+	269.012198	159.2
[M-H]-	245.015704	154.3
[M+NH4]+	264.056803	169.5
[M+K]+	284.986138	154.1
[M+H-H2O]+	229.020240	143.6
[M+HCOO]-	291.021181	162.5
[M+CH3COO]-	305.036831	187.5
[M+Na-2H]-	266.997646	150.0
[M]+	246.02243142	149.8
[M]-	246.02352858	149.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.