CID 205147

Benzo(b)thiophene-3-methylamine, 7-chloro-n-(2-chloroethyl)-n-ethyl-, hydrochloride

Structural Information

Molecular Formula
C13H15Cl2NS
SMILES
CCN(CCCl)CC1=CSC2=C1C=CC=C2Cl
InChI
InChI=1S/C13H15Cl2NS/c1-2-16(7-6-14)8-10-9-17-13-11(10)4-3-5-12(13)15/h3-5,9H,2,6-8H2,1H3
InChIKey
CBIZOVWJEZCSLW-UHFFFAOYSA-N
Compound name
2-chloro-N-[(7-chloro-1-benzothiophen-3-yl)methyl]-N-ethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.0302 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.03748 163.1
[M+Na]+ 310.01942 173.7
[M-H]- 286.02292 169.0
[M+NH4]+ 305.06402 184.6
[M+K]+ 325.99336 167.5
[M+H-H2O]+ 270.02746 158.7
[M+HCOO]- 332.02840 174.9
[M+CH3COO]- 346.04405 202.8
[M+Na-2H]- 308.00487 164.6
[M]+ 287.02965 172.0
[M]- 287.03075 172.0
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.