CID 70974685

3-(4-bromo-2-fluorophenoxy)oxetane

Structural Information

Molecular Formula
C9H8BrFO2
SMILES
C1C(CO1)OC2=C(C=C(C=C2)Br)F
InChI
InChI=1S/C9H8BrFO2/c10-6-1-2-9(8(11)3-6)13-7-4-12-5-7/h1-3,7H,4-5H2
InChIKey
FWXLBIVKFVUMKW-UHFFFAOYSA-N
Compound name
3-(4-bromo-2-fluorophenoxy)oxetane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

245.96918 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.97646 144.0
[M+Na]+ 268.95840 144.1
[M+NH4]+ 264.00300 145.6
[M+K]+ 284.93234 145.5
[M-H]- 244.96190 143.6
[M+Na-2H]- 266.94385 145.6
[M]+ 245.96863 141.8
[M]- 245.96973 141.8
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