CID 16218179

1072951-60-0

Structural Information

Molecular Formula
C14H12BF3O3
SMILES
B(C1=CC=CC=C1COC2=CC=CC(=C2)C(F)(F)F)(O)O
InChI
InChI=1S/C14H12BF3O3/c16-14(17,18)11-5-3-6-12(8-11)21-9-10-4-1-2-7-13(10)15(19)20/h1-8,19-20H,9H2
InChIKey
YCLVPNCQCUGEIR-UHFFFAOYSA-N
Compound name
[2-[[3-(trifluoromethyl)phenoxy]methyl]phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

296.08316 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.090436 161.8
[M+Na]+ 319.072378 169.2
[M-H]- 295.075884 162.1
[M+NH4]+ 314.116983 175.6
[M+K]+ 335.046318 164.8
[M+H-H2O]+ 279.080420 152.4
[M+HCOO]- 341.081361 177.7
[M+CH3COO]- 355.097011 196.6
[M+Na-2H]- 317.057826 164.9
[M]+ 296.08261142 158.0
[M]- 296.08370858 158.0
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