CID 16217918

2,6-difluoro-3-formylphenylboronic acid

Structural Information

Molecular Formula
C7H5BF2O3
SMILES
B(C1=C(C=CC(=C1F)C=O)F)(O)O
InChI
InChI=1S/C7H5BF2O3/c9-5-2-1-4(3-11)7(10)6(5)8(12)13/h1-3,12-13H
InChIKey
GLQAPMRINNTHGJ-UHFFFAOYSA-N
Compound name
(2,6-difluoro-3-formylphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

186.02998 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.03726 137.1
[M+Na]+ 209.01920 147.3
[M+NH4]+ 204.06380 142.8
[M+K]+ 224.99314 143.1
[M-H]- 185.02270 134.4
[M+Na-2H]- 207.00465 140.5
[M]+ 186.02943 137.4
[M]- 186.03053 137.4
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