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]+ 289.884276 150.6
[M+Na]+ 311.866218 160.2
[M-H]- 287.869724 153.7
[M+NH4]+ 306.910823 167.1
[M+K]+ 327.840158 151.7
[M+H-H2O]+ 271.874260 153.2
[M+HCOO]- 333.875201 155.9
[M+CH3COO]- 347.890851 187.4
[M+Na-2H]- 309.851666 154.8
[M]+ 288.87645142 154.5
[M]- 288.87754858 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.