CID 5074752

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

Structural Information

Molecular Formula
C9H9FO2
SMILES
C1COC(O1)C2=CC=C(C=C2)F
InChI
InChI=1S/C9H9FO2/c10-8-3-1-7(2-4-8)9-11-5-6-12-9/h1-4,9H,5-6H2
InChIKey
BNQMPUFBEBLZGA-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

168.05865 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.065926 130.6
[M+Na]+ 191.047868 138.4
[M-H]- 167.051374 137.3
[M+NH4]+ 186.092473 150.1
[M+K]+ 207.021808 138.9
[M+H-H2O]+ 151.055910 124.4
[M+HCOO]- 213.056851 152.1
[M+CH3COO]- 227.072501 175.5
[M+Na-2H]- 189.033316 137.4
[M]+ 168.05810142 129.3
[M]- 168.05919858 129.3
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