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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.04349 138.5
[M+Na]+ 241.02543 147.5
[M-H]- 217.02893 136.1
[M+NH4]+ 236.07003 155.8
[M+K]+ 256.99937 144.5
[M+H-H2O]+ 201.03347 131.2
[M+HCOO]- 263.03441 155.2
[M+CH3COO]- 277.05006 181.9
[M+Na-2H]- 239.01088 142.3
[M]+ 218.03566 134.2
[M]- 218.03676 134.2
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