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

245
Patents

154.06013 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.06741 129.3
[M+Na]+ 177.04935 140.9
[M+NH4]+ 172.09395 137.0
[M+K]+ 193.02329 136.0
[M-H]- 153.05285 129.1
[M+Na-2H]- 175.03480 134.7
[M]+ 154.05958 130.7
[M]- 154.06068 130.7
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