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

2
Patents

287.84143 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.84871 134.5
[M+Na]+ 310.83065 150.6
[M-H]- 286.83415 142.0
[M+NH4]+ 305.87525 156.5
[M+K]+ 326.80459 136.4
[M+H-H2O]+ 270.83869 137.8
[M+HCOO]- 332.83963 142.9
[M+CH3COO]- 346.85528 189.7
[M+Na-2H]- 308.81610 141.4
[M]+ 287.84088 158.0
[M]- 287.84198 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