CID 43141534

2-[4-(bromomethyl)phenoxymethyl]oxolane

Structural Information

Molecular Formula
C12H15BrO2
SMILES
C1CC(OC1)COC2=CC=C(C=C2)CBr
InChI
InChI=1S/C12H15BrO2/c13-8-10-3-5-11(6-4-10)15-9-12-2-1-7-14-12/h3-6,12H,1-2,7-9H2
InChIKey
IPLMPVINGCKZBG-UHFFFAOYSA-N
Compound name
2-[[4-(bromomethyl)phenoxy]methyl]oxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.02554 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.03282 156.9
[M+Na]+ 293.01476 159.6
[M+NH4]+ 288.05936 162.2
[M+K]+ 308.98870 160.2
[M-H]- 269.01826 160.0
[M+Na-2H]- 291.00021 159.9
[M]+ 270.02499 157.0
[M]- 270.02609 157.0
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.