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

24
Patents

245.96918 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.976456 132.0
[M+Na]+ 268.958398 142.7
[M-H]- 244.961904 140.7
[M+NH4]+ 264.003003 146.1
[M+K]+ 284.932338 136.9
[M+H-H2O]+ 228.966440 126.9
[M+HCOO]- 290.967381 151.3
[M+CH3COO]- 304.983031 191.6
[M+Na-2H]- 266.943846 140.5
[M]+ 245.96863142 158.4
[M]- 245.96972858 158.4
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