CID 55279262

6-chloro-5-methoxypyridine-2-sulfonyl chloride

Structural Information

Molecular Formula
C6H5Cl2NO3S
SMILES
COC1=C(N=C(C=C1)S(=O)(=O)Cl)Cl
InChI
InChI=1S/C6H5Cl2NO3S/c1-12-4-2-3-5(9-6(4)7)13(8,10)11/h2-3H,1H3
InChIKey
JDEYNTWLRTXQDE-UHFFFAOYSA-N
Compound name
6-chloro-5-methoxypyridine-2-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.93672 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.94400 140.1
[M+Na]+ 263.92594 152.1
[M-H]- 239.92944 143.4
[M+NH4]+ 258.97054 158.7
[M+K]+ 279.89988 147.7
[M+H-H2O]+ 223.93398 136.3
[M+HCOO]- 285.93492 149.0
[M+CH3COO]- 299.95057 184.4
[M+Na-2H]- 261.91139 144.9
[M]+ 240.93617 147.2
[M]- 240.93727 147.2
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.