CID 2776499

6-phenoxypyridine-3-sulphonyl chloride

Structural Information

Molecular Formula
C11H8ClNO3S
SMILES
C1=CC=C(C=C1)OC2=NC=C(C=C2)S(=O)(=O)Cl
InChI
InChI=1S/C11H8ClNO3S/c12-17(14,15)10-6-7-11(13-8-10)16-9-4-2-1-3-5-9/h1-8H
InChIKey
AHTIUBWJNYRYLG-UHFFFAOYSA-N
Compound name
6-phenoxypyridine-3-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

120
Patents

268.99133 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.998606 153.2
[M+Na]+ 291.980548 163.7
[M-H]- 267.984054 159.5
[M+NH4]+ 287.025153 169.6
[M+K]+ 307.954488 158.7
[M+H-H2O]+ 251.988590 146.7
[M+HCOO]- 313.989531 167.1
[M+CH3COO]- 328.005181 189.3
[M+Na-2H]- 289.965996 159.5
[M]+ 268.99078142 158.7
[M]- 268.99187858 158.7
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

patents stripe