CID 131524181

2-(4-bromo-3-fluorophenyl)-1,3-dioxolane

Structural Information

Molecular Formula
C9H8BrFO2
SMILES
C1COC(O1)C2=CC(=C(C=C2)Br)F
InChI
InChI=1S/C9H8BrFO2/c10-7-2-1-6(5-8(7)11)9-12-3-4-13-9/h1-2,5,9H,3-4H2
InChIKey
PQMLGQOAQAXEBH-UHFFFAOYSA-N
Compound name
2-(4-bromo-3-fluorophenyl)-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

245.96918 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.976456 147.4
[M+Na]+ 268.958398 159.2
[M-H]- 244.961904 156.8
[M+NH4]+ 264.003003 167.7
[M+K]+ 284.932338 151.0
[M+H-H2O]+ 228.966440 147.4
[M+HCOO]- 290.967381 166.5
[M+CH3COO]- 304.983031 186.9
[M+Na-2H]- 266.943846 153.9
[M]+ 245.96863142 165.1
[M]- 245.96972858 165.1
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