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]+ 271.03282 157.0
[M+Na]+ 293.01476 166.5
[M-H]- 269.01826 166.2
[M+NH4]+ 288.05936 177.3
[M+K]+ 308.98870 157.2
[M+H-H2O]+ 253.02280 156.9
[M+HCOO]- 315.02374 177.0
[M+CH3COO]- 329.03939 191.6
[M+Na-2H]- 291.00021 162.4
[M]+ 270.02499 175.7
[M]- 270.02609 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.