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

0
Patents

166.06013 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.06741 131.2
[M+Na]+ 189.04935 143.3
[M+NH4]+ 184.09395 140.0
[M+K]+ 205.02329 139.5
[M-H]- 165.05285 133.0
[M+Na-2H]- 187.03480 135.3
[M]+ 166.05958 133.3
[M]- 166.06068 133.3
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

No patent data available for this compound.