CID 15918507

2-(4-bromophenyl)sulfonylethanol

Structural Information

Molecular Formula
C8H9BrO3S
SMILES
C1=CC(=CC=C1S(=O)(=O)CCO)Br
InChI
InChI=1S/C8H9BrO3S/c9-7-1-3-8(4-2-7)13(11,12)6-5-10/h1-4,10H,5-6H2
InChIKey
JEYIKZQANLPVBY-UHFFFAOYSA-N
Compound name
2-(4-bromophenyl)sulfonylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

68
Patents

263.9456 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.95288 136.3
[M+Na]+ 286.93482 138.8
[M+NH4]+ 281.97942 140.6
[M+K]+ 302.90876 138.7
[M-H]- 262.93832 135.5
[M+Na-2H]- 284.92027 139.5
[M]+ 263.94505 135.6
[M]- 263.94615 135.6
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