CID 81894962

5-(propan-2-yloxy)pyridine-3-sulfonyl chloride

Structural Information

Molecular Formula
C8H10ClNO3S
SMILES
CC(C)OC1=CC(=CN=C1)S(=O)(=O)Cl
InChI
InChI=1S/C8H10ClNO3S/c1-6(2)13-7-3-8(5-10-4-7)14(9,11)12/h3-6H,1-2H3
InChIKey
STOKKYIMWJIKLP-UHFFFAOYSA-N
Compound name
5-propan-2-yloxypyridine-3-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.00699 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.014266 143.9
[M+Na]+ 257.996208 153.8
[M-H]- 233.999714 147.1
[M+NH4]+ 253.040813 162.0
[M+K]+ 273.970148 150.5
[M+H-H2O]+ 218.004250 138.9
[M+HCOO]- 280.005191 156.2
[M+CH3COO]- 294.020841 185.3
[M+Na-2H]- 255.981656 148.0
[M]+ 235.00644142 150.1
[M]- 235.00753858 150.1
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.