CID 39870930

Methyl 2-chloro-5-sulfamoylpyridine-3-carboxylate

Structural Information

Molecular Formula
C7H7ClN2O4S
SMILES
COC(=O)C1=C(N=CC(=C1)S(=O)(=O)N)Cl
InChI
InChI=1S/C7H7ClN2O4S/c1-14-7(11)5-2-4(15(9,12)13)3-10-6(5)8/h2-3H,1H3,(H2,9,12,13)
InChIKey
INZLQXFFGGMVRU-UHFFFAOYSA-N
Compound name
methyl 2-chloro-5-sulfamoylpyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.9815 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.988776 146.5
[M+Na]+ 272.970718 156.8
[M-H]- 248.974224 149.5
[M+NH4]+ 268.015323 163.4
[M+K]+ 288.944658 153.1
[M+H-H2O]+ 232.978760 141.4
[M+HCOO]- 294.979701 159.8
[M+CH3COO]- 308.995351 188.4
[M+Na-2H]- 270.956166 150.0
[M]+ 249.98095142 151.5
[M]- 249.98204858 151.5
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.