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

1
Patents

303.83633 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.843606 136.7
[M+Na]+ 326.825548 152.7
[M-H]- 302.829054 143.0
[M+NH4]+ 321.870153 157.5
[M+K]+ 342.799488 138.1
[M+H-H2O]+ 286.833590 140.1
[M+HCOO]- 348.834531 143.8
[M+CH3COO]- 362.850181 190.4
[M+Na-2H]- 324.810996 142.8
[M]+ 303.83578142 160.1
[M]- 303.83687858 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

patents stripe