CID 44717470

4-fluoro-3-hydroxybenzeneboronic acid

Structural Information

Molecular Formula
C6H6BFO3
SMILES
B(C1=CC(=C(C=C1)F)O)(O)O
InChI
InChI=1S/C6H6BFO3/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,9-11H
InChIKey
GNCXNRGBOBWFSO-UHFFFAOYSA-N
Compound name
(4-fluoro-3-hydroxyphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

247
Patents

156.0394 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.04668 125.9
[M+Na]+ 179.02862 134.5
[M-H]- 155.03212 125.0
[M+NH4]+ 174.07322 145.2
[M+K]+ 195.00256 132.1
[M+H-H2O]+ 139.03666 120.6
[M+HCOO]- 201.03760 145.3
[M+CH3COO]- 215.05325 168.9
[M+Na-2H]- 177.01407 130.7
[M]+ 156.03885 122.8
[M]- 156.03995 122.8
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