CID 101724552

5-[(2-chlorophenyl)methyl]-4h-thieno[3,2-c]pyridine

Structural Information

Molecular Formula
C14H12ClNS
SMILES
C1C2=C(C=CN1CC3=CC=CC=C3Cl)SC=C2
InChI
InChI=1S/C14H12ClNS/c15-13-4-2-1-3-11(13)9-16-7-5-14-12(10-16)6-8-17-14/h1-8H,9-10H2
InChIKey
BNJVHGHQYHAEDJ-UHFFFAOYSA-N
Compound name
5-[(2-chlorophenyl)methyl]-4H-thieno[3,2-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

261.0379 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.04518 155.1
[M+Na]+ 284.02712 171.1
[M+NH4]+ 279.07172 166.5
[M+K]+ 300.00106 160.9
[M-H]- 260.03062 160.8
[M+Na-2H]- 282.01257 163.9
[M]+ 261.03735 160.0
[M]- 261.03845 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

patents stripe