CID 23863

Benzo(b)thiophene-3-methylamine, 5-chloro-n-(2-chloroethyl)-n-ethyl-, hydrochloride

Structural Information

Molecular Formula
C13H15Cl2NS
SMILES
CCN(CCCl)CC1=CSC2=C1C=C(C=C2)Cl
InChI
InChI=1S/C13H15Cl2NS/c1-2-16(6-5-14)8-10-9-17-13-4-3-11(15)7-12(10)13/h3-4,7,9H,2,5-6,8H2,1H3
InChIKey
UCVZEFWQXWDRSA-UHFFFAOYSA-N
Compound name
2-chloro-N-[(5-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 162.6
[M+Na]+ 310.01942 177.0
[M+NH4]+ 305.06402 173.4
[M+K]+ 325.99336 167.0
[M-H]- 286.02292 166.9
[M+Na-2H]- 308.00487 169.3
[M]+ 287.02965 167.1
[M]- 287.03075 167.1
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.