CID 89970

1-bromo-4-(phenylsulfonyl)benzene

Structural Information

Molecular Formula
C12H9BrO2S
SMILES
C1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)Br
InChI
InChI=1S/C12H9BrO2S/c13-10-6-8-12(9-7-10)16(14,15)11-4-2-1-3-5-11/h1-9H
InChIKey
WUQDRRXKNVIWIR-UHFFFAOYSA-N
Compound name
1-(benzenesulfonyl)-4-bromobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

206
Patents

295.95065 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.95793 147.5
[M+Na]+ 318.93987 160.3
[M-H]- 294.94337 157.4
[M+NH4]+ 313.98447 167.3
[M+K]+ 334.91381 148.0
[M+H-H2O]+ 278.94791 147.9
[M+HCOO]- 340.94885 164.8
[M+CH3COO]- 354.96450 193.5
[M+Na-2H]- 316.92532 155.3
[M]+ 295.95010 168.2
[M]- 295.95120 168.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe