CID 10977765

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

65
Patents

245.96918 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.97646 150.4
[M+Na]+ 268.95840 153.5
[M+NH4]+ 264.00300 155.2
[M+K]+ 284.93234 154.9
[M-H]- 244.96190 153.3
[M+Na-2H]- 266.94385 152.6
[M]+ 245.96863 150.4
[M]- 245.96973 150.4
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