CID 75480805

5-bromo-2,4-dichlorobenzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C6H2BrCl3O2S
SMILES
C1=C(C(=CC(=C1Br)Cl)Cl)S(=O)(=O)Cl
InChI
InChI=1S/C6H2BrCl3O2S/c7-3-1-6(13(10,11)12)5(9)2-4(3)8/h1-2H
InChIKey
VMMZBCRKHJULAH-UHFFFAOYSA-N
Compound name
5-bromo-2,4-dichlorobenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.80246 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.809736 138.8
[M+Na]+ 344.791678 155.3
[M-H]- 320.795184 145.5
[M+NH4]+ 339.836283 159.6
[M+K]+ 360.765618 140.7
[M+H-H2O]+ 304.799720 142.7
[M+HCOO]- 366.800661 142.1
[M+CH3COO]- 380.816311 195.8
[M+Na-2H]- 342.777126 144.2
[M]+ 321.80191142 161.9
[M]- 321.80300858 161.9
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

No patent data available for this compound.