CID 68505715

2-chloro-4h,5h,6h,7h-thieno[3,2-c]pyridine hydrochloride

Structural Information

Molecular Formula
C7H8ClNS
SMILES
C1CNCC2=C1SC(=C2)Cl
InChI
InChI=1S/C7H8ClNS/c8-7-3-5-4-9-2-1-6(5)10-7/h3,9H,1-2,4H2
InChIKey
GDOVYGFMYALPEF-UHFFFAOYSA-N
Compound name
2-chloro-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

173.00659 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.013866 132.2
[M+Na]+ 195.995808 141.6
[M-H]- 171.999314 134.1
[M+NH4]+ 191.040413 155.0
[M+K]+ 211.969748 136.8
[M+H-H2O]+ 156.003850 128.0
[M+HCOO]- 218.004791 142.7
[M+CH3COO]- 232.020441 145.3
[M+Na-2H]- 193.981256 135.1
[M]+ 173.00604142 131.4
[M]- 173.00713858 131.4
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