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

19
Patents

226.99458 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.001856 133.5
[M+Na]+ 249.983798 143.4
[M-H]- 225.987304 139.0
[M+NH4]+ 245.028403 148.5
[M+K]+ 265.957738 134.7
[M+H-H2O]+ 209.991840 129.8
[M+HCOO]- 271.992781 150.5
[M+CH3COO]- 286.008431 183.6
[M+Na-2H]- 247.969246 142.2
[M]+ 226.99403142 156.2
[M]- 226.99512858 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