CID 74892466

1777807-55-2

Structural Information

Molecular Formula

C₈H₆BF₃O₃

SMILES

B(C1=C(C=C(C=C1)C=O)C(F)(F)F)(O)O

InChI

InChI=1S/C8H6BF3O3/c10-8(11,12)6-3-5(4-13)1-2-7(6)9(14)15/h1-4,14-15H

InChIKey

QIYYXFOYNKDPEB-UHFFFAOYSA-N

Compound name

[4-formyl-2-(trifluoromethyl)phenyl]boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 33
Patents: 218.03621 Da
Monoisotopic Mass: None
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe