CID 25185241

825644-26-6

Structural Information

Molecular Formula
C7H6BFO3
SMILES
B(C1=C(C=C(C=C1)F)C=O)(O)O
InChI
InChI=1S/C7H6BFO3/c9-6-1-2-7(8(11)12)5(3-6)4-10/h1-4,11-12H
InChIKey
QWUBOCQWTPCPNE-UHFFFAOYSA-N
Compound name
(4-fluoro-2-formylphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

68
Patents

168.0394 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.04668 131.8
[M+Na]+ 191.02862 143.0
[M+NH4]+ 186.07322 138.6
[M+K]+ 207.00256 138.5
[M-H]- 167.03212 130.8
[M+Na-2H]- 189.01407 136.6
[M]+ 168.03885 132.8
[M]- 168.03995 132.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe