CID 57625434

6-cyanopyridine-3-sulfonamide

Structural Information

Molecular Formula
C6H5N3O2S
SMILES
C1=CC(=NC=C1S(=O)(=O)N)C#N
InChI
InChI=1S/C6H5N3O2S/c7-3-5-1-2-6(4-9-5)12(8,10)11/h1-2,4H,(H2,8,10,11)
InChIKey
ZDFRONWVKDXVNE-UHFFFAOYSA-N
Compound name
6-cyanopyridine-3-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

183.01025 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.01753 143.3
[M+Na]+ 205.99947 154.3
[M-H]- 182.00297 145.7
[M+NH4]+ 201.04407 159.9
[M+K]+ 221.97341 151.9
[M+H-H2O]+ 166.00751 130.5
[M+HCOO]- 228.00845 158.1
[M+CH3COO]- 242.02410 190.6
[M+Na-2H]- 203.98492 147.8
[M]+ 183.00970 138.8
[M]- 183.01080 138.8
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

patents stripe