CID 91636398

6-methanesulfonylpyridine-3-sulfonyl chloride

Structural Information

Molecular Formula
C6H6ClNO4S2
SMILES
CS(=O)(=O)C1=NC=C(C=C1)S(=O)(=O)Cl
InChI
InChI=1S/C6H6ClNO4S2/c1-13(9,10)6-3-2-5(4-8-6)14(7,11)12/h2-4H,1H3
InChIKey
CEMMEPOVTSQYMW-UHFFFAOYSA-N
Compound name
6-methylsulfonylpyridine-3-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

254.94267 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.94995 147.6
[M+Na]+ 277.93189 158.6
[M-H]- 253.93539 150.9
[M+NH4]+ 272.97649 164.7
[M+K]+ 293.90583 153.5
[M+H-H2O]+ 237.93993 143.1
[M+HCOO]- 299.94087 155.0
[M+CH3COO]- 313.95652 184.2
[M+Na-2H]- 275.91734 152.4
[M]+ 254.94212 153.4
[M]- 254.94322 153.4
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

patents stripe