CID 3041336

Thieno(3,2-c)pyridine, 4,5,6,7-tetrahydro-5-((4-fluorophenyl)methyl)-, monohydrochloride

Structural Information

Molecular Formula
C14H14FNS
SMILES
C1CN(CC2=C1SC=C2)CC3=CC=C(C=C3)F
InChI
InChI=1S/C14H14FNS/c15-13-3-1-11(2-4-13)9-16-7-5-14-12(10-16)6-8-17-14/h1-4,6,8H,5,7,9-10H2
InChIKey
QZVLQUBGLKOJIR-UHFFFAOYSA-N
Compound name
5-[(4-fluorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

247.0831 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.09038 153.5
[M+Na]+ 270.07232 166.6
[M+NH4]+ 265.11692 163.7
[M+K]+ 286.04626 157.7
[M-H]- 246.07582 157.3
[M+Na-2H]- 268.05777 160.5
[M]+ 247.08255 157.0
[M]- 247.08365 157.0
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

patents stripe