CID 105512020

3-(4-bromophenyl)tetrahydro-2h-pyran-3-ol

Structural Information

Molecular Formula
C11H13BrO2
SMILES
C1CC(COC1)(C2=CC=C(C=C2)Br)O
InChI
InChI=1S/C11H13BrO2/c12-10-4-2-9(3-5-10)11(13)6-1-7-14-8-11/h2-5,13H,1,6-8H2
InChIKey
ICWSHEMEFKHQOV-UHFFFAOYSA-N
Compound name
3-(4-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 149.6
[M+Na]+ 278.99912 158.8
[M-H]- 255.00262 157.7
[M+NH4]+ 274.04372 169.8
[M+K]+ 294.97306 149.3
[M+H-H2O]+ 239.00716 150.1
[M+HCOO]- 301.00810 166.5
[M+CH3COO]- 315.02375 186.4
[M+Na-2H]- 276.98457 157.7
[M]+ 256.00935 164.8
[M]- 256.01045 164.8
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.