CID 58382379

3-(4-bromophenyl)oxetan-3-ol

Structural Information

Molecular Formula
C9H9BrO2
SMILES
C1C(CO1)(C2=CC=C(C=C2)Br)O
InChI
InChI=1S/C9H9BrO2/c10-8-3-1-7(2-4-8)9(11)5-12-6-9/h1-4,11H,5-6H2
InChIKey
KNQDDTUCGFNECR-UHFFFAOYSA-N
Compound name
3-(4-bromophenyl)oxetan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

197
Patents

227.97859 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.98587 137.3
[M+Na]+ 250.96781 137.5
[M+NH4]+ 246.01241 140.5
[M+K]+ 266.94175 138.0
[M-H]- 226.97131 137.8
[M+Na-2H]- 248.95326 140.8
[M]+ 227.97804 135.5
[M]- 227.97914 135.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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