CID 105512021

3-(3-bromophenyl)oxan-3-ol

Structural Information

Molecular Formula
C11H13BrO2
SMILES
C1CC(COC1)(C2=CC(=CC=C2)Br)O
InChI
InChI=1S/C11H13BrO2/c12-10-4-1-3-9(7-10)11(13)5-2-6-14-8-11/h1,3-4,7,13H,2,5-6,8H2
InChIKey
BYOWBQOLTURBAF-UHFFFAOYSA-N
Compound name
3-(3-bromophenyl)oxan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.0099 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.01718 148.7
[M+Na]+ 278.99912 152.2
[M+NH4]+ 274.04372 155.4
[M+K]+ 294.97306 150.4
[M-H]- 255.00262 152.2
[M+Na-2H]- 276.98457 154.1
[M]+ 256.00935 149.2
[M]- 256.01045 149.2
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.