CID 13315391

89565-24-2

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 161.9
[M+Na]+ 318.99145 175.3
[M+NH4]+ 314.03605 169.2
[M+K]+ 334.96539 167.3
[M-H]- 294.99495 164.6
[M+Na-2H]- 316.97690 170.4
[M]+ 296.00168 165.3
[M]- 296.00278 165.3
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.