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 152.2
[M+Na]+ 270.07232 161.0
[M-H]- 246.07582 157.3
[M+NH4]+ 265.11692 171.9
[M+K]+ 286.04626 155.8
[M+H-H2O]+ 230.08036 144.5
[M+HCOO]- 292.08130 167.3
[M+CH3COO]- 306.09695 164.4
[M+Na-2H]- 268.05777 153.7
[M]+ 247.08255 151.0
[M]- 247.08365 151.0
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