CID 140908382

2244253-83-4

Structural Information

Molecular Formula
C8H8BFO2
SMILES
B1(C2=C(CCO1)C=CC(=C2)F)O
InChI
InChI=1S/C8H8BFO2/c10-7-2-1-6-3-4-12-9(11)8(6)5-7/h1-2,5,11H,3-4H2
InChIKey
WDIKFIATEBVAGQ-UHFFFAOYSA-N
Compound name
7-fluoro-1-hydroxy-3,4-dihydro-2,1-benzoxaborinine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

166.06013 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.067406 128.1
[M+Na]+ 189.049348 136.6
[M-H]- 165.052854 130.9
[M+NH4]+ 184.093953 148.1
[M+K]+ 205.023288 135.1
[M+H-H2O]+ 149.057390 122.1
[M+HCOO]- 211.058331 146.9
[M+CH3COO]- 225.073981 175.2
[M+Na-2H]- 187.034796 136.4
[M]+ 166.05958142 125.3
[M]- 166.06067858 125.3
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