CID 16226826

6-chloro-3,4-dihydro-2h-1-benzothiopyran-4-amine

Structural Information

Molecular Formula

C₉H₁₀ClNS

SMILES

C1CSC2=C(C1N)C=C(C=C2)Cl

InChI

InChI=1S/C9H10ClNS/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-2,5,8H,3-4,11H2

InChIKey

WVOPBIDNAGCFIJ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 199.02225 Da
Monoisotopic Mass: 2.1
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]+	200.02953	136.5
[M+Na]+	222.01147	150.1
[M+NH4]+	217.05607	147.9
[M+K]+	237.98541	140.0
[M-H]-	198.01497	141.1
[M+Na-2H]-	219.99692	143.3
[M]+	199.02170	140.6
[M]-	199.02280	140.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe