CID 2734337

(3,4-difluorophenyl)boronic acid

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4029
Patents

158.03506 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.042336 124.7
[M+Na]+ 181.024278 133.9
[M-H]- 157.027784 123.8
[M+NH4]+ 176.068883 144.6
[M+K]+ 196.998218 131.4
[M+H-H2O]+ 141.032320 118.4
[M+HCOO]- 203.033261 144.4
[M+CH3COO]- 217.048911 172.1
[M+Na-2H]- 179.009726 129.4
[M]+ 158.03451142 120.8
[M]- 158.03560858 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