CID 71092757

{4-[4-(trifluoromethyl)phenoxy]phenyl}boronic acid

Structural Information

Molecular Formula
C13H10BF3O3
SMILES
B(C1=CC=C(C=C1)OC2=CC=C(C=C2)C(F)(F)F)(O)O
InChI
InChI=1S/C13H10BF3O3/c15-13(16,17)9-1-5-11(6-2-9)20-12-7-3-10(4-8-12)14(18)19/h1-8,18-19H
InChIKey
KZXCMVJHGMMESW-UHFFFAOYSA-N
Compound name
[4-[4-(trifluoromethyl)phenoxy]phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

282.0675 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.07478 157.1
[M+Na]+ 305.05672 164.9
[M-H]- 281.06022 157.6
[M+NH4]+ 300.10132 171.4
[M+K]+ 321.03066 160.8
[M+H-H2O]+ 265.06476 147.9
[M+HCOO]- 327.06570 173.4
[M+CH3COO]- 341.08135 193.6
[M+Na-2H]- 303.04217 160.8
[M]+ 282.06695 152.9
[M]- 282.06805 152.9
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