CID 12464522

5-fluoro-2,3-dihydro-1,4-benzodioxine

Structural Information

Molecular Formula
C8H7FO2
SMILES
C1COC2=C(O1)C=CC=C2F
InChI
InChI=1S/C8H7FO2/c9-6-2-1-3-7-8(6)11-5-4-10-7/h1-3H,4-5H2
InChIKey
DRSLFPHWBGATPA-UHFFFAOYSA-N
Compound name
5-fluoro-2,3-dihydro-1,4-benzodioxine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

216
Patents

154.04301 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.050286 125.3
[M+Na]+ 177.032228 133.7
[M-H]- 153.035734 129.9
[M+NH4]+ 172.076833 144.9
[M+K]+ 193.006168 134.3
[M+H-H2O]+ 137.040270 119.0
[M+HCOO]- 199.041211 144.8
[M+CH3COO]- 213.056861 139.6
[M+Na-2H]- 175.017676 135.9
[M]+ 154.04246142 124.2
[M]- 154.04355858 124.2
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