CID 2737788

4-benzyloxy-3-fluorophenylboronic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

431
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

literature stripe

Patent stripe

patents stripe