CID 133625908

2654826-84-1

Structural Information

Molecular Formula
C16H26BF2NO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CCN(CC2(F)F)C(=O)OC(C)(C)C
InChI
InChI=1S/C16H26BF2NO4/c1-13(2,3)22-12(21)20-9-8-11(16(18,19)10-20)17-23-14(4,5)15(6,7)24-17/h8H,9-10H2,1-7H3
InChIKey
UVWWFUXWQRTGHR-UHFFFAOYSA-N
Compound name
tert-butyl 3,3-difluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,6-dihydropyridine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

345.1923 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.19958 169.7
[M+Na]+ 368.18152 178.3
[M-H]- 344.18502 174.2
[M+NH4]+ 363.22612 187.7
[M+K]+ 384.15546 179.6
[M+H-H2O]+ 328.18956 164.9
[M+HCOO]- 390.19050 181.6
[M+CH3COO]- 404.20615 210.6
[M+Na-2H]- 366.16697 173.2
[M]+ 345.19175 171.3
[M]- 345.19285 171.3
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