CID 130120944

947167-71-7

Structural Information

Molecular Formula
C8H8BFO2
SMILES
B1(C2=C(C=CC(=C2)F)C(O1)C)O
InChI
InChI=1S/C8H8BFO2/c1-5-7-3-2-6(10)4-8(7)9(11)12-5/h2-5,11H,1H3
InChIKey
WKYLCBVUUKQCPN-UHFFFAOYSA-N
Compound name
6-fluoro-1-hydroxy-3-methyl-3H-2,1-benzoxaborole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
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 138.5
[M-H]- 165.052854 131.6
[M+NH4]+ 184.093953 150.4
[M+K]+ 205.023288 136.9
[M+H-H2O]+ 149.057390 123.1
[M+HCOO]- 211.058331 149.0
[M+CH3COO]- 225.073981 175.9
[M+Na-2H]- 187.034796 134.2
[M]+ 166.05958142 127.9
[M]- 166.06067858 127.9
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