CID 164894165

2,6-dichloro-3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

Structural Information

Molecular Formula
C11H13BCl2FNO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=NC(=C2F)Cl)Cl
InChI
InChI=1S/C11H13BCl2FNO2/c1-10(2)11(3,4)18-12(17-10)6-5-7(13)16-9(14)8(6)15/h5H,1-4H3
InChIKey
DSLJNIBWJXLIOV-UHFFFAOYSA-N
Compound name
2,6-dichloro-3-fluoro-4-(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

291.04004 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.04732 152.5
[M+Na]+ 314.02926 165.4
[M-H]- 290.03276 158.4
[M+NH4]+ 309.07386 172.1
[M+K]+ 330.00320 162.4
[M+H-H2O]+ 274.03730 148.0
[M+HCOO]- 336.03824 162.1
[M+CH3COO]- 350.05389 198.8
[M+Na-2H]- 312.01471 156.4
[M]+ 291.03949 157.8
[M]- 291.04059 157.8
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.