CID 204553

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

Structural Information

Molecular Formula
C13H15ClFNS
SMILES
CCN(CCCl)CC1=CSC2=C1C=C(C=C2)F
InChI
InChI=1S/C13H15ClFNS/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
BFNAUGCPKFJXFD-UHFFFAOYSA-N
Compound name
2-chloro-N-ethyl-N-[(5-fluoro-1-benzothiophen-3-yl)methyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.05978 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.06706 156.5
[M+Na]+ 294.04900 169.3
[M+NH4]+ 289.09360 166.5
[M+K]+ 310.02294 160.3
[M-H]- 270.05250 159.4
[M+Na-2H]- 292.03445 162.7
[M]+ 271.05923 160.0
[M]- 271.06033 160.0
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.