CID 3865312

4-fluoro-2-hydroxyphenylboronic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

264
Patents

156.0394 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.04668 128.2
[M+Na]+ 179.02862 139.0
[M+NH4]+ 174.07322 135.1
[M+K]+ 195.00256 135.2
[M-H]- 155.03212 126.9
[M+Na-2H]- 177.01407 132.7
[M]+ 156.03885 129.0
[M]- 156.03995 129.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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