CID 16414173

2-fluoro-3-methylphenylboronic acid

Structural Information

Molecular Formula
C7H8BFO2
SMILES
B(C1=C(C(=CC=C1)C)F)(O)O
InChI
InChI=1S/C7H8BFO2/c1-5-3-2-4-6(7(5)9)8(10)11/h2-4,10-11H,1H3
InChIKey
VEHQHYJZLSODOU-UHFFFAOYSA-N
Compound name
(2-fluoro-3-methylphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

251
Patents

154.06013 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.067406 126.8
[M+Na]+ 177.049348 135.5
[M-H]- 153.052854 127.2
[M+NH4]+ 172.093953 147.0
[M+K]+ 193.023288 133.3
[M+H-H2O]+ 137.057390 121.3
[M+HCOO]- 199.058331 147.2
[M+CH3COO]- 213.073981 172.3
[M+Na-2H]- 175.034796 131.6
[M]+ 154.05958142 124.4
[M]- 154.06067858 124.4
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