CID 13936751

68559-48-8

Structural Information

Molecular Formula
C14H12ClNOS
SMILES
C1CN(CC2=C1SC=C2)C(=O)C3=CC=CC=C3Cl
InChI
InChI=1S/C14H12ClNOS/c15-12-4-2-1-3-11(12)14(17)16-7-5-13-10(9-16)6-8-18-13/h1-4,6,8H,5,7,9H2
InChIKey
ARHVQOBKFAPHQP-UHFFFAOYSA-N
Compound name
(2-chlorophenyl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

277.0328 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.04008 160.4
[M+Na]+ 300.02202 169.6
[M-H]- 276.02552 166.9
[M+NH4]+ 295.06662 179.6
[M+K]+ 315.99596 163.9
[M+H-H2O]+ 260.03006 154.4
[M+HCOO]- 322.03100 171.3
[M+CH3COO]- 336.04665 172.5
[M+Na-2H]- 298.00747 161.0
[M]+ 277.03225 162.3
[M]- 277.03335 162.3
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