CID 90780

2-[(2-bromophenoxy)methyl]oxirane

Structural Information

Molecular Formula
C9H9BrO2
SMILES
C1C(O1)COC2=CC=CC=C2Br
InChI
InChI=1S/C9H9BrO2/c10-8-3-1-2-4-9(8)12-6-7-5-11-7/h1-4,7H,5-6H2
InChIKey
CFPYDAOUKFUDEY-UHFFFAOYSA-N
Compound name
2-[(2-bromophenoxy)methyl]oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

76
Patents

227.97859 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.985866 140.7
[M+Na]+ 250.967808 154.0
[M-H]- 226.971314 151.5
[M+NH4]+ 246.012413 156.9
[M+K]+ 266.941748 144.9
[M+H-H2O]+ 210.975850 140.0
[M+HCOO]- 272.976791 162.7
[M+CH3COO]- 286.992441 188.4
[M+Na-2H]- 248.953256 150.2
[M]+ 227.97804142 163.1
[M]- 227.97913858 163.1
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

patents stripe