CID 84135913

3-(4-bromophenyl)azetidin-3-ol hydrochloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
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 133.5
[M+Na]+ 249.98380 143.4
[M-H]- 225.98730 139.0
[M+NH4]+ 245.02840 148.5
[M+K]+ 265.95774 134.7
[M+H-H2O]+ 209.99184 129.8
[M+HCOO]- 271.99278 150.5
[M+CH3COO]- 286.00843 183.6
[M+Na-2H]- 247.96925 142.2
[M]+ 226.99403 156.2
[M]- 226.99513 156.2
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