CID 11139505

3-(dimethylcarbamoyl)pyridine-2-sulfonyl chloride

Structural Information

Molecular Formula
C8H9ClN2O3S
SMILES
CN(C)C(=O)C1=C(N=CC=C1)S(=O)(=O)Cl
InChI
InChI=1S/C8H9ClN2O3S/c1-11(2)8(12)6-4-3-5-10-7(6)15(9,13)14/h3-5H,1-2H3
InChIKey
BCZIPIDWLIDQGG-UHFFFAOYSA-N
Compound name
3-(dimethylcarbamoyl)pyridine-2-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

248.00224 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.009516 147.2
[M+Na]+ 270.991458 156.6
[M-H]- 246.994964 151.8
[M+NH4]+ 266.036063 164.9
[M+K]+ 286.965398 153.9
[M+H-H2O]+ 230.999500 141.6
[M+HCOO]- 293.000441 161.1
[M+CH3COO]- 307.016091 192.0
[M+Na-2H]- 268.976906 151.2
[M]+ 248.00169142 153.1
[M]- 248.00278858 153.1
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