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

0
Patents

211.02225 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.02953 141.7
[M+Na]+ 234.01147 153.5
[M-H]- 210.01497 146.9
[M+NH4]+ 229.05607 165.1
[M+K]+ 249.98541 147.5
[M+H-H2O]+ 194.01951 137.6
[M+HCOO]- 256.02045 158.7
[M+CH3COO]- 270.03610 156.1
[M+Na-2H]- 231.99692 145.4
[M]+ 211.02170 146.5
[M]- 211.02280 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.