CID 44119809

3-chloro-2-methoxypyridine-4-boronic acid

Structural Information

Molecular Formula
C6H7BClNO3
SMILES
B(C1=C(C(=NC=C1)OC)Cl)(O)O
InChI
InChI=1S/C6H7BClNO3/c1-12-6-5(8)4(7(10)11)2-3-9-6/h2-3,10-11H,1H3
InChIKey
YQNAXOGPSUVHNU-UHFFFAOYSA-N
Compound name
(3-chloro-2-methoxypyridin-4-yl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

230
Patents

187.02075 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.02803 131.6
[M+Na]+ 210.00997 141.4
[M-H]- 186.01347 131.9
[M+NH4]+ 205.05457 150.0
[M+K]+ 225.98391 138.3
[M+H-H2O]+ 170.01801 126.9
[M+HCOO]- 232.01895 147.8
[M+CH3COO]- 246.03460 175.2
[M+Na-2H]- 207.99542 137.3
[M]+ 187.02020 134.0
[M]- 187.02130 134.0
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