CID 50998069

1208076-85-0

Structural Information

Molecular Formula
C6H2BrCl3O2S
SMILES
C1=CC(=C(C(=C1S(=O)(=O)Cl)Cl)Cl)Br
InChI
InChI=1S/C6H2BrCl3O2S/c7-3-1-2-4(13(10,11)12)6(9)5(3)8/h1-2H
InChIKey
HRFCMISMANHTAH-UHFFFAOYSA-N
Compound name
4-bromo-2,3-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]+ 322.80974 147.8
[M+Na]+ 344.79168 153.7
[M+NH4]+ 339.83628 153.2
[M+K]+ 360.76562 151.1
[M-H]- 320.79518 147.6
[M+Na-2H]- 342.77713 151.3
[M]+ 321.80191 148.8
[M]- 321.80301 148.8
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.