CID 165654551

4-bromo-2-(oxan-4-ylsulfanyl)phenol

Structural Information

Molecular Formula
C11H13BrO2S
SMILES
C1COCCC1SC2=C(C=CC(=C2)Br)O
InChI
InChI=1S/C11H13BrO2S/c12-8-1-2-10(13)11(7-8)15-9-3-5-14-6-4-9/h1-2,7,9,13H,3-6H2
InChIKey
ZZDIQJVGFIGKCB-UHFFFAOYSA-N
Compound name
4-bromo-2-(oxan-4-ylsulfanyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.98196 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.98924 148.6
[M+Na]+ 310.97118 158.4
[M-H]- 286.97468 156.9
[M+NH4]+ 306.01578 166.8
[M+K]+ 326.94512 147.6
[M+H-H2O]+ 270.97922 148.9
[M+HCOO]- 332.98016 161.0
[M+CH3COO]- 346.99581 191.4
[M+Na-2H]- 308.95663 153.2
[M]+ 287.98141 165.9
[M]- 287.98251 165.9
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

No patent data available for this compound.