CID 46739804

1218789-90-2

Structural Information

Molecular Formula
C17H25B2F2NO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(N=C2F)F)B3OC(C(O3)(C)C)(C)C
InChI
InChI=1S/C17H25B2F2NO4/c1-14(2)15(3,4)24-18(23-14)10-9-11(13(21)22-12(10)20)19-25-16(5,6)17(7,8)26-19/h9H,1-8H3
InChIKey
PHQRJXOOBNZWQM-UHFFFAOYSA-N
Compound name
2,6-difluoro-3,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

367.1938 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.20108 165.8
[M+Na]+ 390.18302 178.2
[M-H]- 366.18652 175.9
[M+NH4]+ 385.22762 184.2
[M+K]+ 406.15696 180.0
[M+H-H2O]+ 350.19106 162.2
[M+HCOO]- 412.19200 179.7
[M+CH3COO]- 426.20765 217.6
[M+Na-2H]- 388.16847 168.9
[M]+ 367.19325 171.5
[M]- 367.19435 171.5
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