CID 3865312

(4-fluoro-2-hydroxy)phenylboronic 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

298
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

literature stripe

Patent stripe

patents stripe