CID 112756766

Methyl 5-(chlorosulfonyl)-2-methylpyridine-3-carboxylate

Structural Information

Molecular Formula
C8H8ClNO4S
SMILES
CC1=C(C=C(C=N1)S(=O)(=O)Cl)C(=O)OC
InChI
InChI=1S/C8H8ClNO4S/c1-5-7(8(11)14-2)3-6(4-10-5)15(9,12)13/h3-4H,1-2H3
InChIKey
BPJYGVWETWPCSG-UHFFFAOYSA-N
Compound name
methyl 5-chlorosulfonyl-2-methylpyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.98625 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.99353 145.4
[M+Na]+ 271.97547 156.3
[M-H]- 247.97897 149.0
[M+NH4]+ 267.02007 163.1
[M+K]+ 287.94941 153.0
[M+H-H2O]+ 231.98351 140.6
[M+HCOO]- 293.98445 158.1
[M+CH3COO]- 308.00010 187.0
[M+Na-2H]- 269.96092 149.1
[M]+ 248.98570 152.7
[M]- 248.98680 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.