CID 55279599

Methyl 5-(chlorosulfonyl)pyridine-2-carboxylate

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

234.97061 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.977886 141.7
[M+Na]+ 257.959828 152.2
[M-H]- 233.963334 145.1
[M+NH4]+ 253.004433 159.7
[M+K]+ 273.933768 149.1
[M+H-H2O]+ 217.967870 136.8
[M+HCOO]- 279.968811 154.8
[M+CH3COO]- 293.984461 182.8
[M+Na-2H]- 255.945276 146.5
[M]+ 234.97006142 148.2
[M]- 234.97115858 148.2
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