CID 18670393

2-(pyridin-4-yl)ethane-1-sulfonyl chloride hydrochloride

Structural Information

Molecular Formula
C7H8ClNO2S
SMILES
C1=CN=CC=C1CCS(=O)(=O)Cl
InChI
InChI=1S/C7H8ClNO2S/c8-12(10,11)6-3-7-1-4-9-5-2-7/h1-2,4-5H,3,6H2
InChIKey
WHXRBCKHWPNHMP-UHFFFAOYSA-N
Compound name
2-pyridin-4-ylethanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

71
Patents

204.99643 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.00371 137.7
[M+Na]+ 227.98565 147.7
[M-H]- 203.98915 140.6
[M+NH4]+ 223.03025 156.8
[M+K]+ 243.95959 143.5
[M+H-H2O]+ 187.99369 132.6
[M+HCOO]- 249.99463 151.1
[M+CH3COO]- 264.01028 178.3
[M+Na-2H]- 225.97110 143.7
[M]+ 204.99588 142.2
[M]- 204.99698 142.2
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