CID 2734333

2,3-difluorophenylboronic acid

Structural Information

Molecular Formula
C6H5BF2O2
SMILES
B(C1=C(C(=CC=C1)F)F)(O)O
InChI
InChI=1S/C6H5BF2O2/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,10-11H
InChIKey
SZYXKFKWFYUOGZ-UHFFFAOYSA-N
Compound name
(2,3-difluorophenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2716
Patents

158.03506 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.04234 124.7
[M+Na]+ 181.02428 133.9
[M-H]- 157.02778 123.8
[M+NH4]+ 176.06888 144.6
[M+K]+ 196.99822 131.4
[M+H-H2O]+ 141.03232 118.4
[M+HCOO]- 203.03326 144.4
[M+CH3COO]- 217.04891 172.1
[M+Na-2H]- 179.00973 129.4
[M]+ 158.03451 120.8
[M]- 158.03561 120.8
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