CID 83747302

2-bromo-3-chlorobenzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C6H3BrCl2O2S
SMILES
C1=CC(=C(C(=C1)Cl)Br)S(=O)(=O)Cl
InChI
InChI=1S/C6H3BrCl2O2S/c7-6-4(8)2-1-3-5(6)12(9,10)11/h1-3H
InChIKey
LYBRJVPRDVGFLN-UHFFFAOYSA-N
Compound name
2-bromo-3-chlorobenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.84143 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.848706 134.5
[M+Na]+ 310.830648 150.6
[M-H]- 286.834154 142.0
[M+NH4]+ 305.875253 156.5
[M+K]+ 326.804588 136.4
[M+H-H2O]+ 270.838690 137.8
[M+HCOO]- 332.839631 142.9
[M+CH3COO]- 346.855281 189.7
[M+Na-2H]- 308.816096 141.4
[M]+ 287.84088142 158.0
[M]- 287.84197858 158.0
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