CID 2763247

5-acetyl-2-fluorobenzeneboronic acid

Structural Information

Molecular Formula
C8H8BFO3
SMILES
B(C1=C(C=CC(=C1)C(=O)C)F)(O)O
InChI
InChI=1S/C8H8BFO3/c1-5(11)6-2-3-8(10)7(4-6)9(12)13/h2-4,12-13H,1H3
InChIKey
FQVNUEBNRAIKBR-UHFFFAOYSA-N
Compound name
(5-acetyl-2-fluorophenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

70
Patents

182.05505 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.06233 133.1
[M+Na]+ 205.04427 141.3
[M-H]- 181.04777 133.4
[M+NH4]+ 200.08887 151.9
[M+K]+ 221.01821 139.3
[M+H-H2O]+ 165.05231 127.3
[M+HCOO]- 227.05325 152.6
[M+CH3COO]- 241.06890 177.5
[M+Na-2H]- 203.02972 136.1
[M]+ 182.05450 131.2
[M]- 182.05560 131.2
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