CID 57386051

3-(4-bromophenoxy)oxetane

Structural Information

Molecular Formula
C9H9BrO2
SMILES
C1C(CO1)OC2=CC=C(C=C2)Br
InChI
InChI=1S/C9H9BrO2/c10-7-1-3-8(4-2-7)12-9-5-11-6-9/h1-4,9H,5-6H2
InChIKey
KTHYKLLJTJDHER-UHFFFAOYSA-N
Compound name
3-(4-bromophenoxy)oxetane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

73
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 127.4
[M+Na]+ 250.967808 137.2
[M-H]- 226.971314 137.0
[M+NH4]+ 246.012413 141.9
[M+K]+ 266.941748 131.9
[M+H-H2O]+ 210.975850 123.1
[M+HCOO]- 272.976791 147.7
[M+CH3COO]- 286.992441 188.2
[M+Na-2H]- 248.953256 137.3
[M]+ 227.97804142 154.5
[M]- 227.97913858 154.5
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