CID 16217704

3-(benzyloxy)-2,6-difluorobenzeneboronic acid

Structural Information

Molecular Formula
C13H11BF2O3
SMILES
B(C1=C(C=CC(=C1F)OCC2=CC=CC=C2)F)(O)O
InChI
InChI=1S/C13H11BF2O3/c15-10-6-7-11(13(16)12(10)14(17)18)19-8-9-4-2-1-3-5-9/h1-7,17-18H,8H2
InChIKey
MUKMMBLTLNKOAC-UHFFFAOYSA-N
Compound name
(2,6-difluoro-3-phenylmethoxyphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

65
Patents

264.07693 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.08421 153.8
[M+Na]+ 287.06615 162.1
[M-H]- 263.06965 155.8
[M+NH4]+ 282.11075 169.1
[M+K]+ 303.04009 157.9
[M+H-H2O]+ 247.07419 145.2
[M+HCOO]- 309.07513 172.8
[M+CH3COO]- 323.09078 192.2
[M+Na-2H]- 285.05160 156.6
[M]+ 264.07638 151.8
[M]- 264.07748 151.8
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