CID 44558161

(3-fluoro-5-phenylmethoxyphenyl)boronic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

246.08635 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.093626 151.2
[M+Na]+ 269.075568 158.4
[M-H]- 245.079074 154.1
[M+NH4]+ 264.120173 167.0
[M+K]+ 285.049508 154.6
[M+H-H2O]+ 229.083610 143.4
[M+HCOO]- 291.084551 171.2
[M+CH3COO]- 305.100201 188.3
[M+Na-2H]- 267.061016 155.3
[M]+ 246.08580142 149.9
[M]- 246.08689858 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