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

41
Patents

226.99458 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.001856 131.0
[M+Na]+ 249.983798 140.5
[M-H]- 225.987304 137.3
[M+NH4]+ 245.028403 144.8
[M+K]+ 265.957738 132.7
[M+H-H2O]+ 209.991840 126.0
[M+HCOO]- 271.992781 149.3
[M+CH3COO]- 286.008431 186.4
[M+Na-2H]- 247.969246 139.4
[M]+ 226.99403142 155.0
[M]- 226.99512858 155.0
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