CID 122164013

5-acetyl-4h,5h,6h,7h-thieno[3,2-c]pyridine-2-sulfonyl chloride

Structural Information

Molecular Formula
C9H10ClNO3S2
SMILES
CC(=O)N1CCC2=C(C1)C=C(S2)S(=O)(=O)Cl
InChI
InChI=1S/C9H10ClNO3S2/c1-6(12)11-3-2-8-7(5-11)4-9(15-8)16(10,13)14/h4H,2-3,5H2,1H3
InChIKey
WNRFERWQHZQFDT-UHFFFAOYSA-N
Compound name
5-acetyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.97906 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.98634 159.2
[M+Na]+ 301.96828 169.0
[M+NH4]+ 297.01288 167.1
[M+K]+ 317.94222 162.0
[M-H]- 277.97178 158.9
[M+Na-2H]- 299.95373 161.0
[M]+ 278.97851 161.5
[M]- 278.97961 161.5
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

No patent data available for this compound.