CID 112691059

2-ethoxypyridine-3-sulfonyl chloride

Structural Information

Molecular Formula
C7H8ClNO3S
SMILES
CCOC1=C(C=CC=N1)S(=O)(=O)Cl
InChI
InChI=1S/C7H8ClNO3S/c1-2-12-7-6(13(8,10)11)4-3-5-9-7/h3-5H,2H2,1H3
InChIKey
GFMIPFLGOBWPCN-UHFFFAOYSA-N
Compound name
2-ethoxypyridine-3-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.99135 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.99863 143.7
[M+Na]+ 243.98057 156.7
[M+NH4]+ 239.02517 151.4
[M+K]+ 259.95451 149.1
[M-H]- 219.98407 143.9
[M+Na-2H]- 241.96602 149.6
[M]+ 220.99080 146.4
[M]- 220.99190 146.4
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

No patent data available for this compound.