CID 59525623

3-(4-bromophenyl)-3-fluorooxetane

Structural Information

Molecular Formula
C9H8BrFO
SMILES
C1C(CO1)(C2=CC=C(C=C2)Br)F
InChI
InChI=1S/C9H8BrFO/c10-8-3-1-7(2-4-8)9(11)5-12-6-9/h1-4H,5-6H2
InChIKey
SQVOYDWWROMJHE-UHFFFAOYSA-N
Compound name
3-(4-bromophenyl)-3-fluorooxetane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

229.97426 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.98154 129.7
[M+Na]+ 252.96348 140.8
[M-H]- 228.96698 138.7
[M+NH4]+ 248.00808 146.2
[M+K]+ 268.93742 134.6
[M+H-H2O]+ 212.97152 126.0
[M+HCOO]- 274.97246 149.0
[M+CH3COO]- 288.98811 188.4
[M+Na-2H]- 250.94893 139.9
[M]+ 229.97371 155.0
[M]- 229.97481 155.0
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