CID 2782821

(4-ethoxy-3-fluorophenyl)boronic acid

Structural Information

Molecular Formula
C8H10BFO3
SMILES
B(C1=CC(=C(C=C1)OCC)F)(O)O
InChI
InChI=1S/C8H10BFO3/c1-2-13-8-4-3-6(9(11)12)5-7(8)10/h3-5,11-12H,2H2,1H3
InChIKey
ZONJMULNQBNBGU-UHFFFAOYSA-N
Compound name
(4-ethoxy-3-fluorophenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

245
Patents

184.07071 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.07799 134.6
[M+Na]+ 207.05993 142.7
[M-H]- 183.06343 134.7
[M+NH4]+ 202.10453 153.5
[M+K]+ 223.03387 140.8
[M+H-H2O]+ 167.06797 128.6
[M+HCOO]- 229.06891 154.9
[M+CH3COO]- 243.08456 177.4
[M+Na-2H]- 205.04538 138.8
[M]+ 184.07016 134.0
[M]- 184.07126 134.0
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

patents stripe