CID 13706105

Methyl 3-(chlorosulfonyl)pyridine-4-carboxylate

Structural Information

Molecular Formula
C7H6ClNO4S
SMILES
COC(=O)C1=C(C=NC=C1)S(=O)(=O)Cl
InChI
InChI=1S/C7H6ClNO4S/c1-13-7(10)5-2-3-9-4-6(5)14(8,11)12/h2-4H,1H3
InChIKey
KJQBHMBOIQTMNE-UHFFFAOYSA-N
Compound name
methyl 3-chlorosulfonylpyridine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.97061 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.97789 145.8
[M+Na]+ 257.95983 157.9
[M+NH4]+ 253.00443 152.6
[M+K]+ 273.93377 151.7
[M-H]- 233.96333 145.0
[M+Na-2H]- 255.94528 150.9
[M]+ 234.97006 147.9
[M]- 234.97116 147.9
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.