CID 46739753

1310383-91-5

Structural Information

Molecular Formula
C8H6BF3O4
SMILES
B(C1=CC(=C(C=C1)OC(F)(F)F)C=O)(O)O
InChI
InChI=1S/C8H6BF3O4/c10-8(11,12)16-7-2-1-6(9(14)15)3-5(7)4-13/h1-4,14-15H
InChIKey
NMDBNGRHYCPTCY-UHFFFAOYSA-N
Compound name
[3-formyl-4-(trifluoromethoxy)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.03113 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.03841 150.3
[M+Na]+ 257.02035 157.9
[M+NH4]+ 252.06495 154.0
[M+K]+ 272.99429 154.9
[M-H]- 233.02385 145.0
[M+Na-2H]- 255.00580 152.2
[M]+ 234.03058 149.4
[M]- 234.03168 149.4
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

No patent data available for this compound.