CID 16218045

2-fluoro-4-formylbenzeneboronic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

344
Patents

168.0394 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.04668 128.4
[M+Na]+ 191.02862 137.4
[M-H]- 167.03212 128.8
[M+NH4]+ 186.07322 147.9
[M+K]+ 207.00256 135.0
[M+H-H2O]+ 151.03666 122.8
[M+HCOO]- 213.03760 149.3
[M+CH3COO]- 227.05325 173.5
[M+Na-2H]- 189.01407 133.2
[M]+ 168.03885 126.8
[M]- 168.03995 126.8
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