CID 84135915

3-(3-bromophenyl)azetidin-3-ol

Structural Information

Molecular Formula
C9H10BrNO
SMILES
C1C(CN1)(C2=CC(=CC=C2)Br)O
InChI
InChI=1S/C9H10BrNO/c10-8-3-1-2-7(4-8)9(12)5-11-6-9/h1-4,11-12H,5-6H2
InChIKey
SUWQFRXKQNRNHH-UHFFFAOYSA-N
Compound name
3-(3-bromophenyl)azetidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.99458 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.00186 140.8
[M+Na]+ 249.98380 140.3
[M+NH4]+ 245.02840 143.5
[M+K]+ 265.95774 140.5
[M-H]- 225.98730 139.4
[M+Na-2H]- 247.96925 144.0
[M]+ 226.99403 138.3
[M]- 226.99513 138.3
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

No patent data available for this compound.