CID 24229463

6-phenylpyridine-3-sulphonyl chloride

Structural Information

Molecular Formula
C11H8ClNO2S
SMILES
C1=CC=C(C=C1)C2=NC=C(C=C2)S(=O)(=O)Cl
InChI
InChI=1S/C11H8ClNO2S/c12-16(14,15)10-6-7-11(13-8-10)9-4-2-1-3-5-9/h1-8H
InChIKey
XXAIRWVPDAMXOX-UHFFFAOYSA-N
Compound name
6-phenylpyridine-3-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

252.99643 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.00371 150.0
[M+Na]+ 275.98565 160.7
[M-H]- 251.98915 156.3
[M+NH4]+ 271.03025 167.1
[M+K]+ 291.95959 155.1
[M+H-H2O]+ 235.99369 143.7
[M+HCOO]- 297.99463 163.7
[M+CH3COO]- 312.01028 187.2
[M+Na-2H]- 273.97110 156.1
[M]+ 252.99588 154.0
[M]- 252.99698 154.0
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