CID 72220612

2-chloro-4-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

Structural Information

Molecular Formula
C11H14BClFNO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C=CN=C2Cl)F
InChI
InChI=1S/C11H14BClFNO2/c1-10(2)11(3,4)17-12(16-10)8-7(14)5-6-15-9(8)13/h5-6H,1-4H3
InChIKey
WGGWKTFFIXDLAY-UHFFFAOYSA-N
Compound name
2-chloro-4-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.079 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.08628 147.6
[M+Na]+ 280.06822 159.5
[M-H]- 256.07172 154.0
[M+NH4]+ 275.11282 168.0
[M+K]+ 296.04216 157.9
[M+H-H2O]+ 240.07626 142.4
[M+HCOO]- 302.07720 162.3
[M+CH3COO]- 316.09285 193.2
[M+Na-2H]- 278.05367 152.9
[M]+ 257.07845 151.6
[M]- 257.07955 151.6
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.