CID 66521404

2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6-(trifluoromethyl)pyrazine

Structural Information

Molecular Formula
C11H14BF3N2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN=CC(=N2)C(F)(F)F
InChI
InChI=1S/C11H14BF3N2O2/c1-9(2)10(3,4)19-12(18-9)8-6-16-5-7(17-8)11(13,14)15/h5-6H,1-4H3
InChIKey
CVOJTHLETAELPO-UHFFFAOYSA-N
Compound name
2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6-(trifluoromethyl)pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.11005 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.11733 152.6
[M+Na]+ 297.09927 163.6
[M-H]- 273.10277 155.1
[M+NH4]+ 292.14387 169.9
[M+K]+ 313.07321 163.4
[M+H-H2O]+ 257.10731 144.5
[M+HCOO]- 319.10825 167.0
[M+CH3COO]- 333.12390 196.3
[M+Na-2H]- 295.08472 158.6
[M]+ 274.10950 152.0
[M]- 274.11060 152.0
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.