CID 59330197

685563-69-3

Structural Information

Molecular Formula
C13H6BF7O3
SMILES
B(C1=CC(=C(C(=C1)F)C(OC2=CC(=C(C(=C2)F)F)F)(F)F)F)(O)O
InChI
InChI=1S/C13H6BF7O3/c15-7-1-5(14(22)23)2-8(16)11(7)13(20,21)24-6-3-9(17)12(19)10(18)4-6/h1-4,22-23H
InChIKey
VSTNCNVEYGFOEM-UHFFFAOYSA-N
Compound name
[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

354.02982 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.03710 184.9
[M+Na]+ 377.01904 189.5
[M+NH4]+ 372.06364 185.5
[M+K]+ 392.99298 185.8
[M-H]- 353.02254 178.7
[M+Na-2H]- 375.00449 184.4
[M]+ 354.02927 183.4
[M]- 354.03037 183.4
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