CID 67357567

1222556-35-5

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

23
Patents

170.03792 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.045196 129.0
[M+Na]+ 193.027138 138.0
[M-H]- 169.030644 132.7
[M+NH4]+ 188.071743 147.5
[M+K]+ 209.001078 138.1
[M+H-H2O]+ 153.035180 122.9
[M+HCOO]- 215.036121 147.3
[M+CH3COO]- 229.051771 175.1
[M+Na-2H]- 191.012586 138.5
[M]+ 170.03737142 128.0
[M]- 170.03846858 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