CID 155973291

(8-chloro-7-fluoroquinolin-3-yl)boronic acid

Structural Information

Molecular Formula
C9H6BClFNO2
SMILES
B(C1=CC2=C(C(=C(C=C2)F)Cl)N=C1)(O)O
InChI
InChI=1S/C9H6BClFNO2/c11-8-7(12)2-1-5-3-6(10(14)15)4-13-9(5)8/h1-4,14-15H
InChIKey
YNULQDCXQZOHNB-UHFFFAOYSA-N
Compound name
(8-chloro-7-fluoroquinolin-3-yl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.01642 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.02370 139.5
[M+Na]+ 248.00564 150.5
[M-H]- 224.00914 139.5
[M+NH4]+ 243.05024 157.6
[M+K]+ 263.97958 145.1
[M+H-H2O]+ 208.01368 133.7
[M+HCOO]- 270.01462 153.3
[M+CH3COO]- 284.03027 183.6
[M+Na-2H]- 245.99109 145.6
[M]+ 225.01587 139.9
[M]- 225.01697 139.9
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.