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]+ 236.01427 143.9
[M+Na]+ 257.99621 153.8
[M-H]- 233.99971 147.1
[M+NH4]+ 253.04081 162.0
[M+K]+ 273.97015 150.5
[M+H-H2O]+ 218.00425 138.9
[M+HCOO]- 280.00519 156.2
[M+CH3COO]- 294.02084 185.3
[M+Na-2H]- 255.98166 148.0
[M]+ 235.00644 150.1
[M]- 235.00754 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.