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

75
Patents

204.99643 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.003706 137.7
[M+Na]+ 227.985648 147.7
[M-H]- 203.989154 140.6
[M+NH4]+ 223.030253 156.8
[M+K]+ 243.959588 143.5
[M+H-H2O]+ 187.993690 132.6
[M+HCOO]- 249.994631 151.1
[M+CH3COO]- 264.010281 178.3
[M+Na-2H]- 225.971096 143.7
[M]+ 204.99588142 142.2
[M]- 204.99697858 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