CID 16217909

836615-83-9

Structural Information

Molecular Formula
C13H10BF3O3
SMILES
B(C1=C(C=CC(=C1F)OCC2=CC=CC=C2F)F)(O)O
InChI
InChI=1S/C13H10BF3O3/c15-9-4-2-1-3-8(9)7-20-11-6-5-10(16)12(13(11)17)14(18)19/h1-6,18-19H,7H2
InChIKey
FZRDUMLPMRLTOK-UHFFFAOYSA-N
Compound name
[2,6-difluoro-3-[(2-fluorophenyl)methoxy]phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

282.0675 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.07478 156.5
[M+Na]+ 305.05672 165.7
[M-H]- 281.06022 157.4
[M+NH4]+ 300.10132 171.3
[M+K]+ 321.03066 161.1
[M+H-H2O]+ 265.06476 147.1
[M+HCOO]- 327.06570 174.3
[M+CH3COO]- 341.08135 196.3
[M+Na-2H]- 303.04217 157.9
[M]+ 282.06695 153.8
[M]- 282.06805 153.8
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