CID 137935421

2248339-67-3

Structural Information

Molecular Formula
C8H8ClNO4S
SMILES
CC1=CC(=CN=C1C(=O)OC)S(=O)(=O)Cl
InChI
InChI=1S/C8H8ClNO4S/c1-5-3-6(15(9,12)13)4-10-7(5)8(11)14-2/h3-4H,1-2H3
InChIKey
IPAYAGPHUGQOSL-UHFFFAOYSA-N
Compound name
methyl 5-chlorosulfonyl-3-methylpyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.98625 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.99353 150.4
[M+Na]+ 271.97547 162.7
[M+NH4]+ 267.02007 157.0
[M+K]+ 287.94941 156.4
[M-H]- 247.97897 149.6
[M+Na-2H]- 269.96092 155.0
[M]+ 248.98570 152.6
[M]- 248.98680 152.6
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.