CID 46739744

1246633-53-3

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

26
Patents

170.05505 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.06233 132.8
[M+Na]+ 193.04427 143.3
[M+NH4]+ 188.08887 139.4
[M+K]+ 209.01821 139.3
[M-H]- 169.04777 131.4
[M+Na-2H]- 191.02972 137.0
[M]+ 170.05450 133.5
[M]- 170.05560 133.5
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