CID 53401125

1070774-29-6

Structural Information

Molecular Formula
C5H5BFNO2
SMILES
B(C1=C(C=CC=N1)F)(O)O
InChI
InChI=1S/C5H5BFNO2/c7-4-2-1-3-8-5(4)6(9)10/h1-3,9-10H
InChIKey
LTAUVGYDXJTVQB-UHFFFAOYSA-N
Compound name
(3-fluoro-2-pyridinyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

117
Patents

141.03973 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.047006 122.7
[M+Na]+ 164.028948 131.3
[M-H]- 140.032454 121.4
[M+NH4]+ 159.073553 141.7
[M+K]+ 180.002888 129.3
[M+H-H2O]+ 124.036990 116.3
[M+HCOO]- 186.037931 142.4
[M+CH3COO]- 200.053581 167.7
[M+Na-2H]- 162.014396 129.2
[M]+ 141.03918142 119.7
[M]- 141.04027858 119.7
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