CID 46839979

1204580-94-8

Structural Information

Molecular Formula
C8H6BF3O3
SMILES
B(C1=C(C=CC(=C1)C(F)(F)F)C=O)(O)O
InChI
InChI=1S/C8H6BF3O3/c10-8(11,12)6-2-1-5(4-13)7(3-6)9(14)15/h1-4,14-15H
InChIKey
MUEODBDFMVYZAC-UHFFFAOYSA-N
Compound name
[2-formyl-5-(trifluoromethyl)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.03621 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.04349 147.6
[M+Na]+ 241.02543 155.6
[M+NH4]+ 236.07003 151.9
[M+K]+ 256.99937 152.2
[M-H]- 217.02893 142.8
[M+Na-2H]- 239.01088 149.9
[M]+ 218.03566 146.9
[M]- 218.03676 146.9
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

No patent data available for this compound.