CID 46739756

1218790-92-1

Structural Information

Molecular Formula
C13H11BF2O3
SMILES
B(C1=CC=CC=C1COC2=CC(=CC(=C2)F)F)(O)O
InChI
InChI=1S/C13H11BF2O3/c15-10-5-11(16)7-12(6-10)19-8-9-3-1-2-4-13(9)14(17)18/h1-7,17-18H,8H2
InChIKey
HHJHWQLXFNFSHA-UHFFFAOYSA-N
Compound name
[2-[(3,5-difluorophenoxy)methyl]phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

264.07693 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.08421 158.7
[M+Na]+ 287.06615 170.5
[M+NH4]+ 282.11075 164.9
[M+K]+ 303.04009 164.5
[M-H]- 263.06965 158.9
[M+Na-2H]- 285.05160 164.8
[M]+ 264.07638 160.2
[M]- 264.07748 160.2
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