CID 24902358

3-(4-bromophenoxy)azetidine

Structural Information

Molecular Formula
C9H10BrNO
SMILES
C1C(CN1)OC2=CC=C(C=C2)Br
InChI
InChI=1S/C9H10BrNO/c10-7-1-3-8(4-2-7)12-9-5-11-6-9/h1-4,9,11H,5-6H2
InChIKey
FWLCPBKLVSGXQV-UHFFFAOYSA-N
Compound name
3-(4-bromophenoxy)azetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

226.99458 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.00186 138.5
[M+Na]+ 249.98380 138.4
[M+NH4]+ 245.02840 140.3
[M+K]+ 265.95774 139.7
[M-H]- 225.98730 137.5
[M+Na-2H]- 247.96925 141.0
[M]+ 226.99403 136.0
[M]- 226.99513 136.0
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