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

65
Patents

227.97859 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.98587 135.0
[M+Na]+ 250.96781 135.6
[M+NH4]+ 246.01241 137.3
[M+K]+ 266.94175 137.2
[M-H]- 226.97131 135.9
[M+Na-2H]- 248.95326 137.9
[M]+ 227.97804 133.2
[M]- 227.97914 133.2
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