CID 2757163

2-((2-bromophenyl)sulfonyl)ethanol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

263.9456 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.95288 138.8
[M+Na]+ 286.93482 151.2
[M-H]- 262.93832 144.4
[M+NH4]+ 281.97942 159.2
[M+K]+ 302.90876 139.1
[M+H-H2O]+ 246.94286 139.6
[M+HCOO]- 308.94380 154.4
[M+CH3COO]- 322.95945 185.8
[M+Na-2H]- 284.92027 145.6
[M]+ 263.94505 159.9
[M]- 263.94615 159.9
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