CID 24721640

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

Structural Information

Molecular Formula
C9H8F2O2
SMILES
C1COC(O1)C2=CC(=C(C=C2)F)F
InChI
InChI=1S/C9H8F2O2/c10-7-2-1-6(5-8(7)11)9-12-3-4-13-9/h1-2,5,9H,3-4H2
InChIKey
JDIKHNSLOQHKLX-UHFFFAOYSA-N
Compound name
2-(3,4-difluorophenyl)-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

186.04924 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.05652 133.4
[M+Na]+ 209.03846 142.3
[M-H]- 185.04196 139.1
[M+NH4]+ 204.08306 152.4
[M+K]+ 225.01240 142.2
[M+H-H2O]+ 169.04650 126.4
[M+HCOO]- 231.04744 153.9
[M+CH3COO]- 245.06309 179.4
[M+Na-2H]- 207.02391 138.9
[M]+ 186.04869 131.4
[M]- 186.04979 131.4
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