CID 20348975

58095-48-0

Structural Information

Molecular Formula

C₈H₁₀ClNS

SMILES

C1CC(C2=C(C1)SC(=C2)Cl)N

InChI

InChI=1S/C8H10ClNS/c9-8-4-5-6(10)2-1-3-7(5)11-8/h4,6H,1-3,10H2

InChIKey

ZBRYZWSSXVHDNF-UHFFFAOYSA-N

Compound name

2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 187.02225 Da
Monoisotopic Mass: 2.2
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]+	188.029526	136.8
[M+Na]+	210.011468	146.2
[M-H]-	186.014974	141.1
[M+NH4]+	205.056073	160.8
[M+K]+	225.985408	141.4
[M+H-H2O]+	170.019510	133.1
[M+HCOO]-	232.020451	150.0
[M+CH3COO]-	246.036101	150.3
[M+Na-2H]-	207.996916	138.7
[M]+	187.02170142	136.5
[M]-	187.02279858	136.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe