CID 44558174

3-ethoxy-4-fluorophenylboronic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

184.07071 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.07799 137.0
[M+Na]+ 207.05993 147.9
[M+NH4]+ 202.10453 143.8
[M+K]+ 223.03387 143.3
[M-H]- 183.06343 136.1
[M+Na-2H]- 205.04538 141.6
[M]+ 184.07016 138.0
[M]- 184.07126 138.0
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