CID 20120755

6-chloro-n-(3-methylbutyl)pyridine-3-sulfonamide

Structural Information

Molecular Formula
C10H15ClN2O2S
SMILES
CC(C)CCNS(=O)(=O)C1=CN=C(C=C1)Cl
InChI
InChI=1S/C10H15ClN2O2S/c1-8(2)5-6-13-16(14,15)9-3-4-10(11)12-7-9/h3-4,7-8,13H,5-6H2,1-2H3
InChIKey
IIRPHAKQDZKKFY-UHFFFAOYSA-N
Compound name
6-chloro-N-(3-methylbutyl)pyridine-3-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.0543 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.06158 154.8
[M+Na]+ 285.04352 163.0
[M-H]- 261.04702 157.4
[M+NH4]+ 280.08812 171.4
[M+K]+ 301.01746 158.4
[M+H-H2O]+ 245.05156 149.0
[M+HCOO]- 307.05250 167.1
[M+CH3COO]- 321.06815 194.1
[M+Na-2H]- 283.02897 158.1
[M]+ 262.05375 159.4
[M]- 262.05485 159.4
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.