CID 43121170

1039912-70-3

Structural Information

Molecular Formula

C₉H₁₀ClNO₂S

SMILES

C1CS(=O)(=O)C2=C(C1N)C=C(C=C2)Cl

InChI

InChI=1S/C9H10ClNO2S/c10-6-1-2-9-7(5-6)8(11)3-4-14(9,12)13/h1-2,5,8H,3-4,11H2

InChIKey

RCXZIISFWJVMFA-UHFFFAOYSA-N

Compound name

6-chloro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 231.01208 Da
Monoisotopic Mass: 0.8
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]+	232.019356	141.5
[M+Na]+	254.001298	152.2
[M-H]-	230.004804	146.1
[M+NH4]+	249.045903	163.8
[M+K]+	269.975238	147.1
[M+H-H2O]+	214.009340	137.9
[M+HCOO]-	276.010281	154.4
[M+CH3COO]-	290.025931	186.8
[M+Na-2H]-	251.986746	146.6
[M]+	231.01153142	143.0
[M]-	231.01262858	143.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe