CID 85928180

3-bromo-5-chloro-4-hydroxybenzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C6H3BrCl2O3S
SMILES
C1=C(C=C(C(=C1Cl)O)Br)S(=O)(=O)Cl
InChI
InChI=1S/C6H3BrCl2O3S/c7-4-1-3(13(9,11)12)2-5(8)6(4)10/h1-2,10H
InChIKey
LJYZXDHRIYPKKC-UHFFFAOYSA-N
Compound name
3-bromo-5-chloro-4-hydroxybenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.83633 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.84361 142.0
[M+Na]+ 326.82555 146.7
[M+NH4]+ 321.87015 146.7
[M+K]+ 342.79949 145.6
[M-H]- 302.82905 141.2
[M+Na-2H]- 324.81100 145.0
[M]+ 303.83578 142.2
[M]- 303.83688 142.2
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.