CID 44119152

6-chloro-2-methylpyridine-3-boronic acid

Structural Information

Molecular Formula
C6H7BClNO2
SMILES
B(C1=C(N=C(C=C1)Cl)C)(O)O
InChI
InChI=1S/C6H7BClNO2/c1-4-5(7(10)11)2-3-6(8)9-4/h2-3,10-11H,1H3
InChIKey
WEKRUIAZOLIAOG-UHFFFAOYSA-N
Compound name
(6-chloro-2-methylpyridin-3-yl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

171.02583 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.03311 129.0
[M+Na]+ 194.01505 138.9
[M-H]- 170.01855 129.3
[M+NH4]+ 189.05965 148.1
[M+K]+ 209.98899 135.2
[M+H-H2O]+ 154.02309 124.6
[M+HCOO]- 216.02403 145.0
[M+CH3COO]- 230.03968 173.1
[M+Na-2H]- 192.00050 134.6
[M]+ 171.02528 129.9
[M]- 171.02638 129.9
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

patents stripe