CID 4198643

2-chloroquinoline-3-boronic acid

Structural Information

Molecular Formula
C9H7BClNO2
SMILES
B(C1=CC2=CC=CC=C2N=C1Cl)(O)O
InChI
InChI=1S/C9H7BClNO2/c11-9-7(10(13)14)5-6-3-1-2-4-8(6)12-9/h1-5,13-14H
InChIKey
JAQXYUOPSOXQCG-UHFFFAOYSA-N
Compound name
(2-chloroquinolin-3-yl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

102
Patents

207.02583 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.03311 137.3
[M+Na]+ 230.01505 147.3
[M-H]- 206.01855 138.3
[M+NH4]+ 225.05965 155.9
[M+K]+ 245.98899 142.4
[M+H-H2O]+ 190.02309 132.3
[M+HCOO]- 252.02403 152.2
[M+CH3COO]- 266.03968 179.7
[M+Na-2H]- 228.00050 144.7
[M]+ 207.02528 138.4
[M]- 207.02638 138.4
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