CID 176193835

3-(4-bromophenyl)-3-methoxyoxolane

Structural Information

Molecular Formula
C11H13BrO2
SMILES
COC1(CCOC1)C2=CC=C(C=C2)Br
InChI
InChI=1S/C11H13BrO2/c1-13-11(6-7-14-8-11)9-2-4-10(12)5-3-9/h2-5H,6-8H2,1H3
InChIKey
DMWQWSJDXOUKRO-UHFFFAOYSA-N
Compound name
3-(4-bromophenyl)-3-methoxyoxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

256.0099 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.017176 150.3
[M+Na]+ 278.999118 161.1
[M-H]- 255.002624 160.1
[M+NH4]+ 274.043723 173.2
[M+K]+ 294.973058 152.3
[M+H-H2O]+ 239.007160 151.2
[M+HCOO]- 301.008101 170.8
[M+CH3COO]- 315.023751 188.4
[M+Na-2H]- 276.984566 157.5
[M]+ 256.00935142 169.2
[M]- 256.01044858 169.2
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.