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 152.0
[M+Na]+ 271.02784 161.3
[M-H]- 247.03134 155.0
[M+NH4]+ 266.07244 169.4
[M+K]+ 287.00178 157.0
[M+H-H2O]+ 231.03588 146.7
[M+HCOO]- 293.03682 164.0
[M+CH3COO]- 307.05247 190.0
[M+Na-2H]- 269.01329 157.6
[M]+ 248.03807 156.2
[M]- 248.03917 156.2
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