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 156.0
[M+Na]+ 284.02712 166.4
[M-H]- 260.03062 162.6
[M+NH4]+ 279.07172 176.1
[M+K]+ 300.00106 159.9
[M+H-H2O]+ 244.03516 149.8
[M+HCOO]- 306.03610 168.8
[M+CH3COO]- 320.05175 168.8
[M+Na-2H]- 282.01257 158.4
[M]+ 261.03735 159.1
[M]- 261.03845 159.1
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