CID 4729821

N-tert-butyl-6-chloropyridine-3-sulfonamide

Structural Information

Molecular Formula
C9H13ClN2O2S
SMILES
CC(C)(C)NS(=O)(=O)C1=CN=C(C=C1)Cl
InChI
InChI=1S/C9H13ClN2O2S/c1-9(2,3)12-15(13,14)7-4-5-8(10)11-6-7/h4-6,12H,1-3H3
InChIKey
IMOXXBWDLRALIO-UHFFFAOYSA-N
Compound name
N-tert-butyl-6-chloropyridine-3-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

248.03862 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.04590 155.5
[M+Na]+ 271.02784 166.8
[M+NH4]+ 266.07244 162.7
[M+K]+ 287.00178 159.8
[M-H]- 247.03134 155.7
[M+Na-2H]- 269.01329 160.8
[M]+ 248.03807 157.9
[M]- 248.03917 157.9
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