CID 85869382

2-butanol, 1-bromo-4-(phenylsulfonyl)-

Structural Information

Molecular Formula
C10H13BrO3S
SMILES
C1=CC=C(C=C1)S(=O)(=O)CCC(CBr)O
InChI
InChI=1S/C10H13BrO3S/c11-8-9(12)6-7-15(13,14)10-4-2-1-3-5-10/h1-5,9,12H,6-8H2
InChIKey
DSDUBIRTJYRFCW-UHFFFAOYSA-N
Compound name
4-(benzenesulfonyl)-1-bromobutan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.97687 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.98415 143.7
[M+Na]+ 314.96609 145.1
[M+NH4]+ 310.01069 147.5
[M+K]+ 330.94003 145.2
[M-H]- 290.96959 142.5
[M+Na-2H]- 312.95154 146.3
[M]+ 291.97632 142.7
[M]- 291.97742 142.7
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.