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]+ 249.993526 145.4
[M+Na]+ 271.975468 156.3
[M-H]- 247.978974 149.0
[M+NH4]+ 267.020073 163.1
[M+K]+ 287.949408 153.0
[M+H-H2O]+ 231.983510 140.6
[M+HCOO]- 293.984451 158.1
[M+CH3COO]- 308.000101 187.0
[M+Na-2H]- 269.960916 149.1
[M]+ 248.98570142 152.7
[M]- 248.98679858 152.7
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.