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 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

No literature data available for this compound.

Patent stripe

patents stripe