CID 56776567

958457-41-5

Structural Information

Molecular Formula
C13H10BF3O4
SMILES
B(C1=CC=C(C=C1)OC2=CC=C(C=C2)OC(F)(F)F)(O)O
InChI
InChI=1S/C13H10BF3O4/c15-13(16,17)21-12-7-5-11(6-8-12)20-10-3-1-9(2-4-10)14(18)19/h1-8,18-19H
InChIKey
SIWUQLYUFGJITE-UHFFFAOYSA-N
Compound name
[4-[4-(trifluoromethoxy)phenoxy]phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

298.0624 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.06968 160.1
[M+Na]+ 321.05162 167.8
[M-H]- 297.05512 160.5
[M+NH4]+ 316.09622 173.7
[M+K]+ 337.02556 164.3
[M+H-H2O]+ 281.05966 150.6
[M+HCOO]- 343.06060 176.5
[M+CH3COO]- 357.07625 195.7
[M+Na-2H]- 319.03707 163.8
[M]+ 298.06185 157.3
[M]- 298.06295 157.3
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