CID 67357567

8-fluoro-2,3-dihydro-1,4-benzodioxin-6-ol

Structural Information

Molecular Formula
C8H7FO3
SMILES
C1COC2=C(O1)C=C(C=C2F)O
InChI
InChI=1S/C8H7FO3/c9-6-3-5(10)4-7-8(6)12-2-1-11-7/h3-4,10H,1-2H2
InChIKey
NDSXJJZJGMOAAV-UHFFFAOYSA-N
Compound name
5-fluoro-2,3-dihydro-1,4-benzodioxin-7-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

170.03792 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.04520 129.0
[M+Na]+ 193.02714 138.0
[M-H]- 169.03064 132.7
[M+NH4]+ 188.07174 147.5
[M+K]+ 209.00108 138.1
[M+H-H2O]+ 153.03518 122.9
[M+HCOO]- 215.03612 147.3
[M+CH3COO]- 229.05177 175.1
[M+Na-2H]- 191.01259 138.5
[M]+ 170.03737 128.0
[M]- 170.03847 128.0
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