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

32
Patents

248.00224 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.00952 150.5
[M+Na]+ 270.99146 161.8
[M+NH4]+ 266.03606 157.4
[M+K]+ 286.96540 155.8
[M-H]- 246.99496 150.7
[M+Na-2H]- 268.97691 155.8
[M]+ 248.00169 152.8
[M]- 248.00279 152.8
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