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

42
Patents

173.00659 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.01387 132.2
[M+Na]+ 195.99581 141.6
[M-H]- 171.99931 134.1
[M+NH4]+ 191.04041 155.0
[M+K]+ 211.96975 136.8
[M+H-H2O]+ 156.00385 128.0
[M+HCOO]- 218.00479 142.7
[M+CH3COO]- 232.02044 145.3
[M+Na-2H]- 193.98126 135.1
[M]+ 173.00604 131.4
[M]- 173.00714 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