CID 3040403

Jdl 192

Structural Information

Molecular Formula
C11H9Cl2N3O2S
SMILES
C1=CN=CC(=C1NC2=CC(=CC(=C2)Cl)Cl)S(=O)(=O)N
InChI
InChI=1S/C11H9Cl2N3O2S/c12-7-3-8(13)5-9(4-7)16-10-1-2-15-6-11(10)19(14,17)18/h1-6H,(H,15,16)(H2,14,17,18)
InChIKey
BWWSDUBZRMVQLS-UHFFFAOYSA-N
Compound name
4-(3,5-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 164.6
[M+Na]+ 339.96847 175.1
[M-H]- 315.97197 170.0
[M+NH4]+ 335.01307 179.0
[M+K]+ 355.94241 168.0
[M+H-H2O]+ 299.97651 158.7
[M+HCOO]- 361.97745 174.3
[M+CH3COO]- 375.99310 203.3
[M+Na-2H]- 337.95392 168.7
[M]+ 316.97870 168.1
[M]- 316.97980 168.1
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.