CID 221257

Benzenesulfonic acid, p-chloro-, p-bromophenyl ester

Structural Information

Molecular Formula
C12H8BrClO3S
SMILES
C1=CC(=CC=C1OS(=O)(=O)C2=CC=C(C=C2)Cl)Br
InChI
InChI=1S/C12H8BrClO3S/c13-9-1-5-11(6-2-9)17-18(15,16)12-7-3-10(14)4-8-12/h1-8H
InChIKey
KPNQFZZXCDGNTH-UHFFFAOYSA-N
Compound name
(4-bromophenyl) 4-chlorobenzenesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.90662 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.91390 152.1
[M+Na]+ 368.89584 158.0
[M+NH4]+ 363.94044 157.4
[M+K]+ 384.86978 155.7
[M-H]- 344.89934 154.2
[M+Na-2H]- 366.88129 158.5
[M]+ 345.90607 153.2
[M]- 345.90717 153.2
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.