CID 79887429

934703-86-3

Structural Information

Molecular Formula
C8H8ClNOS
SMILES
C1CN(CC2=C1SC=C2)C(=O)Cl
InChI
InChI=1S/C8H8ClNOS/c9-8(11)10-3-1-7-6(5-10)2-4-12-7/h2,4H,1,3,5H2
InChIKey
UTDHMKWKFDMNKH-UHFFFAOYSA-N
Compound name
6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

201.00151 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.00879 139.7
[M+Na]+ 223.99073 149.0
[M-H]- 199.99423 143.1
[M+NH4]+ 219.03533 162.0
[M+K]+ 239.96467 145.3
[M+H-H2O]+ 183.99877 135.1
[M+HCOO]- 245.99971 150.8
[M+CH3COO]- 260.01536 152.8
[M+Na-2H]- 221.97618 141.5
[M]+ 201.00096 141.2
[M]- 201.00206 141.2
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