CID 53216297

(5-(benzyloxy)-2-fluorophenyl)boronic acid

Structural Information

Molecular Formula
C13H12BFO3
SMILES
B(C1=C(C=CC(=C1)OCC2=CC=CC=C2)F)(O)O
InChI
InChI=1S/C13H12BFO3/c15-13-7-6-11(8-12(13)14(16)17)18-9-10-4-2-1-3-5-10/h1-8,16-17H,9H2
InChIKey
DIHHJULQESBDHE-UHFFFAOYSA-N
Compound name
(2-fluoro-5-phenylmethoxyphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

246.08635 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.09363 151.2
[M+Na]+ 269.07557 158.4
[M-H]- 245.07907 154.1
[M+NH4]+ 264.12017 167.0
[M+K]+ 285.04951 154.6
[M+H-H2O]+ 229.08361 143.4
[M+HCOO]- 291.08455 171.2
[M+CH3COO]- 305.10020 188.3
[M+Na-2H]- 267.06102 155.3
[M]+ 246.08580 149.9
[M]- 246.08690 149.9
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