CID 2737467

2-bromo-4,6-dichlorobenzenesulfonyl chloride

Structural Information

Molecular Formula
C6H2BrCl3O2S
SMILES
C1=C(C=C(C(=C1Cl)S(=O)(=O)Cl)Br)Cl
InChI
InChI=1S/C6H2BrCl3O2S/c7-4-1-3(8)2-5(9)6(4)13(10,11)12/h1-2H
InChIKey
FWBOGDGDIZUVFT-UHFFFAOYSA-N
Compound name
2-bromo-4,6-dichlorobenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

321.80246 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.80974 138.8
[M+Na]+ 344.79168 155.3
[M-H]- 320.79518 145.5
[M+NH4]+ 339.83628 159.6
[M+K]+ 360.76562 140.7
[M+H-H2O]+ 304.79972 142.7
[M+HCOO]- 366.80066 142.1
[M+CH3COO]- 380.81631 195.8
[M+Na-2H]- 342.77713 144.2
[M]+ 321.80191 161.9
[M]- 321.80301 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

patents stripe