CID 501224

2-benzylsulfonyl-3-chloro-1-oxido-pyridin-1-ium

Structural Information

Molecular Formula
C12H10ClNO3S
SMILES
C1=CC=C(C=C1)CS(=O)(=O)C2=C(C=CC=[N+]2[O-])Cl
InChI
InChI=1S/C12H10ClNO3S/c13-11-7-4-8-14(15)12(11)18(16,17)9-10-5-2-1-3-6-10/h1-8H,9H2
InChIKey
CELSIDJWNXAWFP-UHFFFAOYSA-N
Compound name
2-benzylsulfonyl-3-chloro-1-oxidopyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.007 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.01428 158.6
[M+Na]+ 305.99622 167.9
[M-H]- 281.99972 163.3
[M+NH4]+ 301.04082 173.3
[M+K]+ 321.97016 157.5
[M+H-H2O]+ 266.00426 156.9
[M+HCOO]- 328.00520 171.0
[M+CH3COO]- 342.02085 183.4
[M+Na-2H]- 303.98167 165.1
[M]+ 283.00645 160.3
[M]- 283.00755 160.3
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.