CID 46739811

1204333-58-3

Structural Information

Molecular Formula
C11H14BF2NO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=NC(=C2)F)F
InChI
InChI=1S/C11H14BF2NO2/c1-10(2)11(3,4)17-12(16-10)7-5-8(13)15-9(14)6-7/h5-6H,1-4H3
InChIKey
FUGGRIAHIVRPNM-UHFFFAOYSA-N
Compound name
2,6-difluoro-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

70
Patents

241.10857 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.11585 144.4
[M+Na]+ 264.09779 155.9
[M-H]- 240.10129 149.7
[M+NH4]+ 259.14239 164.6
[M+K]+ 280.07173 155.6
[M+H-H2O]+ 224.10583 137.8
[M+HCOO]- 286.10677 162.8
[M+CH3COO]- 300.12242 192.1
[M+Na-2H]- 262.08324 149.7
[M]+ 241.10802 145.5
[M]- 241.10912 145.5
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