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 150.6
[M+Na]+ 311.86622 160.2
[M-H]- 287.86972 153.7
[M+NH4]+ 306.91082 167.1
[M+K]+ 327.84016 151.7
[M+H-H2O]+ 271.87426 153.2
[M+HCOO]- 333.87520 155.9
[M+CH3COO]- 347.89085 187.4
[M+Na-2H]- 309.85167 154.8
[M]+ 288.87645 154.5
[M]- 288.87755 154.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.