CID 83823674

1-(3-bromophenyl)azetidin-3-ol

Structural Information

Molecular Formula
C9H10BrNO
SMILES
C1C(CN1C2=CC(=CC=C2)Br)O
InChI
InChI=1S/C9H10BrNO/c10-7-2-1-3-8(4-7)11-5-9(12)6-11/h1-4,9,12H,5-6H2
InChIKey
PLEZLMVSHBXGFT-UHFFFAOYSA-N
Compound name
1-(3-bromophenyl)azetidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

226.99458 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.00186 131.3
[M+Na]+ 249.98380 141.6
[M-H]- 225.98730 138.0
[M+NH4]+ 245.02840 145.4
[M+K]+ 265.95774 133.7
[M+H-H2O]+ 209.99184 126.4
[M+HCOO]- 271.99278 149.6
[M+CH3COO]- 286.00843 187.4
[M+Na-2H]- 247.96925 139.0
[M]+ 226.99403 155.6
[M]- 226.99513 155.6
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