CID 133638960

2225174-24-1

Structural Information

Molecular Formula
C8H9BFNO2
SMILES
B(C1=CC(=NC=C1F)C2CC2)(O)O
InChI
InChI=1S/C8H9BFNO2/c10-7-4-11-8(5-1-2-5)3-6(7)9(12)13/h3-5,12-13H,1-2H2
InChIKey
UFILZXVWDMUYJV-UHFFFAOYSA-N
Compound name
(2-cyclopropyl-5-fluoro-4-pyridinyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.07103 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.07831 132.9
[M+Na]+ 204.06025 143.0
[M-H]- 180.06375 135.8
[M+NH4]+ 199.10485 145.8
[M+K]+ 220.03419 138.9
[M+H-H2O]+ 164.06829 125.6
[M+HCOO]- 226.06923 152.5
[M+CH3COO]- 240.08488 180.0
[M+Na-2H]- 202.04570 137.9
[M]+ 181.07048 132.8
[M]- 181.07158 132.8
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

No patent data available for this compound.