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]+ 226.04518 145.9
[M+Na]+ 248.02712 157.2
[M-H]- 224.03062 151.5
[M+NH4]+ 243.07172 169.0
[M+K]+ 264.00106 151.4
[M+H-H2O]+ 208.03516 141.6
[M+HCOO]- 270.03610 163.2
[M+CH3COO]- 284.05175 160.2
[M+Na-2H]- 246.01257 150.1
[M]+ 225.03735 152.0
[M]- 225.03845 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.