CID 53216268

1256345-50-2

Structural Information

Molecular Formula
C10H9BFNO2
SMILES
B(C1=C(C=CC(=C1)C2(CC2)C#N)F)(O)O
InChI
InChI=1S/C10H9BFNO2/c12-9-2-1-7(5-8(9)11(14)15)10(6-13)3-4-10/h1-2,5,14-15H,3-4H2
InChIKey
JKWXKJVCALEGGN-UHFFFAOYSA-N
Compound name
[5-(1-cyanocyclopropyl)-2-fluorophenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

205.07103 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.07831 144.8
[M+Na]+ 228.06025 156.6
[M+NH4]+ 223.10485 150.4
[M+K]+ 244.03419 148.4
[M-H]- 204.06375 144.7
[M+Na-2H]- 226.04570 151.3
[M]+ 205.07048 146.7
[M]- 205.07158 146.7
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