CID 2433226

54864-87-8

Structural Information

Molecular Formula
C9H13ClN2O2S
SMILES
CCN(CC)S(=O)(=O)C1=CN=C(C=C1)Cl
InChI
InChI=1S/C9H13ClN2O2S/c1-3-12(4-2)15(13,14)8-5-6-9(10)11-7-8/h5-7H,3-4H2,1-2H3
InChIKey
OHBWIMRJRWBVEZ-UHFFFAOYSA-N
Compound name
6-chloro-N,N-diethylpyridine-3-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

14
Patents

248.03862 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.045896 150.2
[M+Na]+ 271.027838 159.3
[M-H]- 247.031344 154.4
[M+NH4]+ 266.072443 168.1
[M+K]+ 287.001778 155.9
[M+H-H2O]+ 231.035880 144.2
[M+HCOO]- 293.036821 164.3
[M+CH3COO]- 307.052471 193.7
[M+Na-2H]- 269.013286 154.4
[M]+ 248.03807142 156.3
[M]- 248.03916858 156.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe