CID 165508718

4-formylpyridine-2-sulfonamide

Structural Information

Molecular Formula
C6H6N2O3S
SMILES
C1=CN=C(C=C1C=O)S(=O)(=O)N
InChI
InChI=1S/C6H6N2O3S/c7-12(10,11)6-3-5(4-9)1-2-8-6/h1-4H,(H2,7,10,11)
InChIKey
AHBQJPPZUAXOLU-UHFFFAOYSA-N
Compound name
4-formylpyridine-2-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.00992 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.017196 134.5
[M+Na]+ 208.999138 144.3
[M-H]- 185.002644 137.2
[M+NH4]+ 204.043743 152.9
[M+K]+ 224.973078 141.4
[M+H-H2O]+ 169.007180 128.4
[M+HCOO]- 231.008121 153.5
[M+CH3COO]- 245.023771 178.0
[M+Na-2H]- 206.984586 140.3
[M]+ 186.00937142 136.1
[M]- 186.01046858 136.1
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.