CID 23447772

2,6-dichloro-3-nitrobenzene-1-sulfonyl chloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
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

No literature data available for this compound.

Patent stripe

patents stripe