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 157.7
[M+Na]+ 294.04900 168.2
[M-H]- 270.05250 162.9
[M+NH4]+ 289.09360 179.4
[M+K]+ 310.02294 162.7
[M+H-H2O]+ 254.05704 151.6
[M+HCOO]- 316.05798 173.7
[M+CH3COO]- 330.07363 201.2
[M+Na-2H]- 292.03445 159.6
[M]+ 271.05923 164.7
[M]- 271.06033 164.7
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.