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 136.7
[M+Na]+ 326.82555 152.7
[M-H]- 302.82905 143.0
[M+NH4]+ 321.87015 157.5
[M+K]+ 342.79949 138.1
[M+H-H2O]+ 286.83359 140.1
[M+HCOO]- 348.83453 143.8
[M+CH3COO]- 362.85018 190.4
[M+Na-2H]- 324.81100 142.8
[M]+ 303.83578 160.1
[M]- 303.83688 160.1
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.