CID 11499245

Tavaborole

Structural Information

Molecular Formula
C7H6BFO2
SMILES
B1(C2=C(CO1)C=C(C=C2)F)O
InChI
InChI=1S/C7H6BFO2/c9-6-1-2-7-5(3-6)4-11-8(7)10/h1-3,10H,4H2
InChIKey
LFQDNHWZDQTITF-UHFFFAOYSA-N
Compound name
5-fluoro-1-hydroxy-3H-2,1-benzoxaborole
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

85
References

1054
Patents

152.0445 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.05178 123.5
[M+Na]+ 175.03372 133.4
[M-H]- 151.03722 126.7
[M+NH4]+ 170.07832 146.1
[M+K]+ 191.00766 132.0
[M+H-H2O]+ 135.04176 118.5
[M+HCOO]- 197.04270 144.8
[M+CH3COO]- 211.05835 171.7
[M+Na-2H]- 173.01917 130.9
[M]+ 152.04395 122.5
[M]- 152.04505 122.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe