CID 155822846

6-bromo-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline

Structural Information

Molecular Formula
C15H17BBrNO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=CC(=C3)Br)N=C2
InChI
InChI=1S/C15H17BBrNO2/c1-14(2)15(3,4)20-16(19-14)11-7-10-8-12(17)5-6-13(10)18-9-11/h5-9H,1-4H3
InChIKey
SQRAARCDMVZUGK-UHFFFAOYSA-N
Compound name
6-bromo-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.05356 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.06084 166.5
[M+Na]+ 356.04278 180.1
[M-H]- 332.04628 177.3
[M+NH4]+ 351.08738 187.6
[M+K]+ 372.01672 171.4
[M+H-H2O]+ 316.05082 167.1
[M+HCOO]- 378.05176 183.3
[M+CH3COO]- 392.06741 181.5
[M+Na-2H]- 354.02823 173.6
[M]+ 333.05301 188.7
[M]- 333.05411 188.7
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.