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

15
Patents

168.05865 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.06593 130.6
[M+Na]+ 191.04787 138.4
[M-H]- 167.05137 137.3
[M+NH4]+ 186.09247 150.1
[M+K]+ 207.02181 138.9
[M+H-H2O]+ 151.05591 124.4
[M+HCOO]- 213.05685 152.1
[M+CH3COO]- 227.07250 175.5
[M+Na-2H]- 189.03332 137.4
[M]+ 168.05810 129.3
[M]- 168.05920 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