CID 43141534

1094335-80-4

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]+ 271.032816 157.0
[M+Na]+ 293.014758 166.5
[M-H]- 269.018264 166.2
[M+NH4]+ 288.059363 177.3
[M+K]+ 308.988698 157.2
[M+H-H2O]+ 253.022800 156.9
[M+HCOO]- 315.023741 177.0
[M+CH3COO]- 329.039391 191.6
[M+Na-2H]- 291.000206 162.4
[M]+ 270.02499142 175.7
[M]- 270.02608858 175.7
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.