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]+ 187.01720 134.5
[M+Na]+ 208.99914 144.3
[M-H]- 185.00264 137.2
[M+NH4]+ 204.04374 152.9
[M+K]+ 224.97308 141.4
[M+H-H2O]+ 169.00718 128.4
[M+HCOO]- 231.00812 153.5
[M+CH3COO]- 245.02377 178.0
[M+Na-2H]- 206.98459 140.3
[M]+ 186.00937 136.1
[M]- 186.01047 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.