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]+ 183.99823 132.5
[M+Na]+ 205.98017 145.2
[M-H]- 181.98367 138.1
[M+NH4]+ 201.02477 157.0
[M+K]+ 221.95411 139.6
[M+H-H2O]+ 165.98821 128.9
[M+HCOO]- 227.98915 150.1
[M+CH3COO]- 242.00480 147.8
[M+Na-2H]- 203.96562 137.3
[M]+ 182.99040 136.6
[M]- 182.99150 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.