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 157.7
[M+Na]+ 301.96828 167.6
[M-H]- 277.97178 161.3
[M+NH4]+ 297.01288 177.1
[M+K]+ 317.94222 163.0
[M+H-H2O]+ 261.97632 154.3
[M+HCOO]- 323.97726 162.3
[M+CH3COO]- 337.99291 190.8
[M+Na-2H]- 299.95373 158.2
[M]+ 278.97851 162.0
[M]- 278.97961 162.0
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.