CID 66521400

3-(3-tetrahydropyranyl)bromobenzene

Structural Information

Molecular Formula
C11H13BrO
SMILES
C1CC(COC1)C2=CC(=CC=C2)Br
InChI
InChI=1S/C11H13BrO/c12-11-5-1-3-9(7-11)10-4-2-6-13-8-10/h1,3,5,7,10H,2,4,6,8H2
InChIKey
MSBRJBBFRPFUAY-UHFFFAOYSA-N
Compound name
3-(3-bromophenyl)oxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.01498 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.022256 147.1
[M+Na]+ 263.004198 156.0
[M-H]- 239.007704 156.2
[M+NH4]+ 258.048803 166.8
[M+K]+ 278.978138 146.6
[M+H-H2O]+ 223.012240 147.0
[M+HCOO]- 285.013181 165.2
[M+CH3COO]- 299.028831 161.4
[M+Na-2H]- 260.989646 154.6
[M]+ 240.01443142 162.2
[M]- 240.01552858 162.2
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.