CID 11845934

6-fluoro-3,4-dihydro-1h-2,1-benzoxaborinin-1-ol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

2
References

118
Patents

166.06013 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.06741 128.1
[M+Na]+ 189.04935 136.6
[M-H]- 165.05285 130.9
[M+NH4]+ 184.09395 148.1
[M+K]+ 205.02329 135.1
[M+H-H2O]+ 149.05739 122.1
[M+HCOO]- 211.05833 146.9
[M+CH3COO]- 225.07398 175.2
[M+Na-2H]- 187.03480 136.4
[M]+ 166.05958 125.3
[M]- 166.06068 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

No patent data available for this compound.