CID 12661485

2,6-dichloro-4-nitrobenzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C6H2Cl3NO4S
SMILES
C1=C(C=C(C(=C1Cl)S(=O)(=O)Cl)Cl)[N+](=O)[O-]
InChI
InChI=1S/C6H2Cl3NO4S/c7-4-1-3(10(11)12)2-5(8)6(4)15(9,13)14/h1-2H
InChIKey
IBDGAHVHISUVDG-UHFFFAOYSA-N
Compound name
2,6-dichloro-4-nitrobenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.877 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.88428 154.7
[M+Na]+ 311.86622 168.9
[M+NH4]+ 306.91082 162.4
[M+K]+ 327.84016 163.3
[M-H]- 287.86972 156.0
[M+Na-2H]- 309.85167 159.7
[M]+ 288.87645 158.3
[M]- 288.87755 158.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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No patent data available for this compound.