CID 2783271

745784-10-5

Structural Information

Molecular Formula
C9H7BFNO2
SMILES
B(C1=CC2=CC=CC=C2N=C1F)(O)O
InChI
InChI=1S/C9H7BFNO2/c11-9-7(10(13)14)5-6-3-1-2-4-8(6)12-9/h1-5,13-14H
InChIKey
SAUJOURLTDSVOK-UHFFFAOYSA-N
Compound name
(2-fluoroquinolin-3-yl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

89
Patents

191.05539 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.06267 135.2
[M+Na]+ 214.04461 144.5
[M-H]- 190.04811 135.0
[M+NH4]+ 209.08921 153.4
[M+K]+ 230.01855 140.8
[M+H-H2O]+ 174.05265 128.3
[M+HCOO]- 236.05359 153.5
[M+CH3COO]- 250.06924 178.6
[M+Na-2H]- 212.03006 142.3
[M]+ 191.05484 133.0
[M]- 191.05594 133.0
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