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

6
Patents

201.00151 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.008786 139.7
[M+Na]+ 223.990728 149.0
[M-H]- 199.994234 143.1
[M+NH4]+ 219.035333 162.0
[M+K]+ 239.964668 145.3
[M+H-H2O]+ 183.998770 135.1
[M+HCOO]- 245.999711 150.8
[M+CH3COO]- 260.015361 152.8
[M+Na-2H]- 221.976176 141.5
[M]+ 201.00096142 141.2
[M]- 201.00205858 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