CID 46738928

6-chloro-2-methoxypyridine-3-boronic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

108
Patents

187.02075 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.028026 131.6
[M+Na]+ 210.009968 141.4
[M-H]- 186.013474 131.9
[M+NH4]+ 205.054573 150.0
[M+K]+ 225.983908 138.3
[M+H-H2O]+ 170.018010 126.9
[M+HCOO]- 232.018951 147.8
[M+CH3COO]- 246.034601 175.2
[M+Na-2H]- 207.995416 137.3
[M]+ 187.02020142 134.0
[M]- 187.02129858 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