CID 59286256

6-chloro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoxaline

Structural Information

Molecular Formula
C14H16BClN2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=NC=CN=C3C=C2Cl
InChI
InChI=1S/C14H16BClN2O2/c1-13(2)14(3,4)20-15(19-13)9-7-11-12(8-10(9)16)18-6-5-17-11/h5-8H,1-4H3
InChIKey
USJOQJLBLDFJHH-UHFFFAOYSA-N
Compound name
6-chloro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoxaline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

290.09933 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.106606 161.2
[M+Na]+ 313.088548 173.4
[M-H]- 289.092054 168.3
[M+NH4]+ 308.133153 179.8
[M+K]+ 329.062488 170.9
[M+H-H2O]+ 273.096590 154.3
[M+HCOO]- 335.097531 174.4
[M+CH3COO]- 349.113181 174.4
[M+Na-2H]- 311.073996 167.3
[M]+ 290.09878142 166.6
[M]- 290.09987858 166.6
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