CID 204559

Ethanol, 2-(ethyl((5-fluorobenzo(b)thien-3-yl)methyl)amino)-, hydrochloride

Structural Information

Molecular Formula
C13H16FNOS
SMILES
CCN(CCO)CC1=CSC2=C1C=C(C=C2)F
InChI
InChI=1S/C13H16FNOS/c1-2-15(5-6-16)8-10-9-17-13-4-3-11(14)7-12(10)13/h3-4,7,9,16H,2,5-6,8H2,1H3
InChIKey
FUEJJBHIMSWKBZ-UHFFFAOYSA-N
Compound name
2-[ethyl-[(5-fluoro-1-benzothiophen-3-yl)methyl]amino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.09366 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.10094 154.0
[M+Na]+ 276.08288 163.1
[M-H]- 252.08638 157.8
[M+NH4]+ 271.12748 174.8
[M+K]+ 292.05682 159.1
[M+H-H2O]+ 236.09092 147.3
[M+HCOO]- 298.09186 173.3
[M+CH3COO]- 312.10751 196.8
[M+Na-2H]- 274.06833 156.1
[M]+ 253.09311 158.6
[M]- 253.09421 158.6
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.