CID 84022746

3-chloro-1-benzothiophen-6-amine hydrochloride

Structural Information

Molecular Formula
C8H6ClNS
SMILES
C1=CC2=C(C=C1N)SC=C2Cl
InChI
InChI=1S/C8H6ClNS/c9-7-4-11-8-3-5(10)1-2-6(7)8/h1-4H,10H2
InChIKey
SJURLMPOPONVAI-UHFFFAOYSA-N
Compound name
3-chloro-1-benzothiophen-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.99095 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.998226 132.5
[M+Na]+ 205.980168 145.2
[M-H]- 181.983674 138.1
[M+NH4]+ 201.024773 157.0
[M+K]+ 221.954108 139.6
[M+H-H2O]+ 165.988210 128.9
[M+HCOO]- 227.989151 150.1
[M+CH3COO]- 242.004801 147.8
[M+Na-2H]- 203.965616 137.3
[M]+ 182.99040142 136.6
[M]- 182.99149858 136.6
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.