CID 211996

23799-83-9

Structural Information

Molecular Formula
C11H12ClNS
SMILES
CNCCC1=CSC2=C1C=C(C=C2)Cl
InChI
InChI=1S/C11H12ClNS/c1-13-5-4-8-7-14-11-3-2-9(12)6-10(8)11/h2-3,6-7,13H,4-5H2,1H3
InChIKey
SRUXXHQEPQJLHW-UHFFFAOYSA-N
Compound name
2-(5-chloro-1-benzothiophen-3-yl)-N-methylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.0379 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.045176 145.9
[M+Na]+ 248.027118 157.2
[M-H]- 224.030624 151.5
[M+NH4]+ 243.071723 169.0
[M+K]+ 264.001058 151.4
[M+H-H2O]+ 208.035160 141.6
[M+HCOO]- 270.036101 163.2
[M+CH3COO]- 284.051751 160.2
[M+Na-2H]- 246.012566 150.1
[M]+ 225.03735142 152.0
[M]- 225.03844858 152.0
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.