CID 211993

23799-79-3

Structural Information

Molecular Formula
C10H10ClNS
SMILES
C1=CC2=C(C=C1Cl)C=C(S2)CCN
InChI
InChI=1S/C10H10ClNS/c11-8-1-2-10-7(5-8)6-9(13-10)3-4-12/h1-2,5-6H,3-4,12H2
InChIKey
XTOUTRPYYCKSGF-UHFFFAOYSA-N
Compound name
2-(5-chloro-1-benzothiophen-2-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

211.02225 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.029526 141.7
[M+Na]+ 234.011468 153.5
[M-H]- 210.014974 146.9
[M+NH4]+ 229.056073 165.1
[M+K]+ 249.985408 147.5
[M+H-H2O]+ 194.019510 137.6
[M+HCOO]- 256.020451 158.7
[M+CH3COO]- 270.036101 156.1
[M+Na-2H]- 231.996916 145.4
[M]+ 211.02170142 146.5
[M]- 211.02279858 146.5
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.