CID 2782674

3-fluoro-4-methylbenzeneboronic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

2
References

970
Patents

154.06013 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.06741 126.8
[M+Na]+ 177.04935 135.5
[M-H]- 153.05285 127.2
[M+NH4]+ 172.09395 147.0
[M+K]+ 193.02329 133.3
[M+H-H2O]+ 137.05739 121.3
[M+HCOO]- 199.05833 147.2
[M+CH3COO]- 213.07398 172.3
[M+Na-2H]- 175.03480 131.6
[M]+ 154.05958 124.4
[M]- 154.06068 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

literature stripe

Patent stripe

patents stripe