CID 46739744

5-fluoro-2-(hydroxymethyl)benzeneboronic acid

Structural Information

Molecular Formula
C7H8BFO3
SMILES
B(C1=C(C=CC(=C1)F)CO)(O)O
InChI
InChI=1S/C7H8BFO3/c9-6-2-1-5(4-10)7(3-6)8(11)12/h1-3,10-12H,4H2
InChIKey
OBSMVIAXTKAJFM-UHFFFAOYSA-N
Compound name
[5-fluoro-2-(hydroxymethyl)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

170.05505 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.062326 130.6
[M+Na]+ 193.044268 138.8
[M-H]- 169.047774 129.5
[M+NH4]+ 188.088873 149.3
[M+K]+ 209.018208 136.1
[M+H-H2O]+ 153.052310 125.0
[M+HCOO]- 215.053251 149.7
[M+CH3COO]- 229.068901 171.9
[M+Na-2H]- 191.029716 134.8
[M]+ 170.05450142 127.8
[M]- 170.05559858 127.8
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