CID 67434758

1231930-37-2

Structural Information

Molecular Formula
C17H24BFN2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C(=C2)F)N=C(N3C(C)C)C
InChI
InChI=1S/C17H24BFN2O2/c1-10(2)21-11(3)20-15-13(19)8-12(9-14(15)21)18-22-16(4,5)17(6,7)23-18/h8-10H,1-7H3
InChIKey
HUSPISQCNSLJSR-UHFFFAOYSA-N
Compound name
4-fluoro-2-methyl-1-propan-2-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

117
Patents

318.1915 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.19878 168.7
[M+Na]+ 341.18072 181.3
[M-H]- 317.18422 175.5
[M+NH4]+ 336.22532 187.8
[M+K]+ 357.15466 179.6
[M+H-H2O]+ 301.18876 162.7
[M+HCOO]- 363.18970 185.7
[M+CH3COO]- 377.20535 210.8
[M+Na-2H]- 339.16617 169.5
[M]+ 318.19095 174.8
[M]- 318.19205 174.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe