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

16
Patents

226.99458 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.001856 131.3
[M+Na]+ 249.983798 141.6
[M-H]- 225.987304 138.0
[M+NH4]+ 245.028403 145.4
[M+K]+ 265.957738 133.7
[M+H-H2O]+ 209.991840 126.4
[M+HCOO]- 271.992781 149.6
[M+CH3COO]- 286.008431 187.4
[M+Na-2H]- 247.969246 139.0
[M]+ 226.99403142 155.6
[M]- 226.99512858 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