CID 105461269

1-methyl-2-oxo-1,2-dihydropyridine-3-sulfonyl chloride

Structural Information

Molecular Formula
C6H6ClNO3S
SMILES
CN1C=CC=C(C1=O)S(=O)(=O)Cl
InChI
InChI=1S/C6H6ClNO3S/c1-8-4-2-3-5(6(8)9)12(7,10)11/h2-4H,1H3
InChIKey
FSUXFVJIMTUMJP-UHFFFAOYSA-N
Compound name
1-methyl-2-oxopyridine-3-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.9757 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.98298 134.6
[M+Na]+ 229.96492 146.8
[M-H]- 205.96842 138.4
[M+NH4]+ 225.00952 154.1
[M+K]+ 245.93886 142.8
[M+H-H2O]+ 189.97296 130.1
[M+HCOO]- 251.97390 148.6
[M+CH3COO]- 265.98955 178.8
[M+Na-2H]- 227.95037 139.9
[M]+ 206.97515 140.2
[M]- 206.97625 140.2
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.