CID 3040407

Cg 261

Structural Information

Molecular Formula
C11H9Cl2N3O2S
SMILES
C1=CC(=C(C(=C1)Cl)NC2=C(C=NC=C2)S(=O)(=O)N)Cl
InChI
InChI=1S/C11H9Cl2N3O2S/c12-7-2-1-3-8(13)11(7)16-9-4-5-15-6-10(9)19(14,17)18/h1-6H,(H,15,16)(H2,14,17,18)
InChIKey
PAXMHSFVJAZCTL-UHFFFAOYSA-N
Compound name
4-(2,6-dichloroanilino)pyridine-3-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.97925 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.98653 167.7
[M+Na]+ 339.96847 181.6
[M+NH4]+ 335.01307 175.3
[M+K]+ 355.94241 172.7
[M-H]- 315.97197 171.2
[M+Na-2H]- 337.95392 175.6
[M]+ 316.97870 171.7
[M]- 316.97980 171.7
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.