CID 119030955

1-{[3-fluoro-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl}-1h-imidazole

Structural Information

Molecular Formula
C16H20BFN2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC(=C2)F)CN3C=CN=C3
InChI
InChI=1S/C16H20BFN2O2/c1-15(2)16(3,4)22-17(21-15)13-7-12(8-14(18)9-13)10-20-6-5-19-11-20/h5-9,11H,10H2,1-4H3
InChIKey
WPGAEQXOWXOJEV-UHFFFAOYSA-N
Compound name
1-[[3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.1602 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.16748 163.5
[M+Na]+ 325.14942 173.9
[M-H]- 301.15292 171.8
[M+NH4]+ 320.19402 181.2
[M+K]+ 341.12336 172.4
[M+H-H2O]+ 285.15746 155.9
[M+HCOO]- 347.15840 182.2
[M+CH3COO]- 361.17405 176.4
[M+Na-2H]- 323.13487 165.5
[M]+ 302.15965 166.3
[M]- 302.16075 166.3
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

No patent data available for this compound.