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

217
Patents

227.97859 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.985866 129.5
[M+Na]+ 250.967808 139.7
[M-H]- 226.971314 138.3
[M+NH4]+ 246.012413 145.3
[M+K]+ 266.941748 133.6
[M+H-H2O]+ 210.975850 126.4
[M+HCOO]- 272.976791 148.5
[M+CH3COO]- 286.992441 185.4
[M+Na-2H]- 248.953256 139.8
[M]+ 227.97804142 155.4
[M]- 227.97913858 155.4
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

patents stripe