CID 131309233

1350627-57-4

Structural Information

Molecular Formula
C14H16BF3N2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=NC(=CN3C=C2)C(F)(F)F
InChI
InChI=1S/C14H16BF3N2O2/c1-12(2)13(3,4)22-15(21-12)9-5-6-20-8-10(14(16,17)18)19-11(20)7-9/h5-8H,1-4H3
InChIKey
VANFRPOXWKOELU-UHFFFAOYSA-N
Compound name
7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)imidazo[1,2-a]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

312.1257 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.13298 162.5
[M+Na]+ 335.11492 175.5
[M-H]- 311.11842 166.7
[M+NH4]+ 330.15952 181.4
[M+K]+ 351.08886 173.7
[M+H-H2O]+ 295.12296 154.9
[M+HCOO]- 357.12390 177.9
[M+CH3COO]- 371.13955 203.8
[M+Na-2H]- 333.10037 167.1
[M]+ 312.12515 164.6
[M]- 312.12625 164.6
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