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

37
Patents

229.97426 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.981536 129.7
[M+Na]+ 252.963478 140.8
[M-H]- 228.966984 138.7
[M+NH4]+ 248.008083 146.2
[M+K]+ 268.937418 134.6
[M+H-H2O]+ 212.971520 126.0
[M+HCOO]- 274.972461 149.0
[M+CH3COO]- 288.988111 188.4
[M+Na-2H]- 250.948926 139.9
[M]+ 229.97371142 155.0
[M]- 229.97480858 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