CID 53216268

5-(1-cyanocyclopropyl)-2-fluorophenylboronic acid

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

6
Patents

205.07103 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.07831 136.5
[M+Na]+ 228.06025 152.6
[M-H]- 204.06375 142.2
[M+NH4]+ 223.10485 151.8
[M+K]+ 244.03419 145.3
[M+H-H2O]+ 188.06829 127.5
[M+HCOO]- 250.06923 155.0
[M+CH3COO]- 264.08488 195.8
[M+Na-2H]- 226.04570 143.1
[M]+ 205.07048 134.0
[M]- 205.07158 134.0
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