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

212
Patents

154.04301 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.05029 125.3
[M+Na]+ 177.03223 133.7
[M-H]- 153.03573 129.9
[M+NH4]+ 172.07683 144.9
[M+K]+ 193.00617 134.3
[M+H-H2O]+ 137.04027 119.0
[M+HCOO]- 199.04121 144.8
[M+CH3COO]- 213.05686 139.6
[M+Na-2H]- 175.01768 135.9
[M]+ 154.04246 124.2
[M]- 154.04356 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