CID 13315391

4-(pyridine-4-amido)benzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C12H9ClN2O3S
SMILES
C1=CC(=CC=C1NC(=O)C2=CC=NC=C2)S(=O)(=O)Cl
InChI
InChI=1S/C12H9ClN2O3S/c13-19(17,18)11-3-1-10(2-4-11)15-12(16)9-5-7-14-8-6-9/h1-8H,(H,15,16)
InChIKey
OQNAJKIHPDZGFT-UHFFFAOYSA-N
Compound name
4-(pyridine-4-carbonylamino)benzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.00223 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.00951 160.8
[M+Na]+ 318.99145 169.9
[M-H]- 294.99495 166.8
[M+NH4]+ 314.03605 175.6
[M+K]+ 334.96539 164.4
[M+H-H2O]+ 278.99949 154.0
[M+HCOO]- 341.00043 174.5
[M+CH3COO]- 355.01608 196.5
[M+Na-2H]- 316.97690 166.2
[M]+ 296.00168 164.6
[M]- 296.00278 164.6
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.