CID 119031266

4-ethoxypyridine-3-sulfonyl chloride hydrochloride

Structural Information

Molecular Formula
C7H8ClNO3S
SMILES
CCOC1=C(C=NC=C1)S(=O)(=O)Cl
InChI
InChI=1S/C7H8ClNO3S/c1-2-12-6-3-4-9-5-7(6)13(8,10)11/h3-5H,2H2,1H3
InChIKey
SJCWOXORIMJAMN-UHFFFAOYSA-N
Compound name
4-ethoxypyridine-3-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.99135 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.99863 140.2
[M+Na]+ 243.98057 150.8
[M-H]- 219.98407 143.5
[M+NH4]+ 239.02517 158.9
[M+K]+ 259.95451 147.3
[M+H-H2O]+ 203.98861 135.2
[M+HCOO]- 265.98955 153.8
[M+CH3COO]- 280.00520 181.5
[M+Na-2H]- 241.96602 145.8
[M]+ 220.99080 146.6
[M]- 220.99190 146.6
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.