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

19
Patents

252.99643 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.003706 150.0
[M+Na]+ 275.985648 160.7
[M-H]- 251.989154 156.3
[M+NH4]+ 271.030253 167.1
[M+K]+ 291.959588 155.1
[M+H-H2O]+ 235.993690 143.7
[M+HCOO]- 297.994631 163.7
[M+CH3COO]- 312.010281 187.2
[M+Na-2H]- 273.971096 156.1
[M]+ 252.99588142 154.0
[M]- 252.99697858 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