CID 2763240

2-fluoro-5-formylphenylboronic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

124
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

No literature data available for this compound.

Patent stripe

patents stripe