CID 139035631

5,8-dibromo-6,7-difluoro-2-((2-hexyldecyl)oxy)quinoxaline

Structural Information

Molecular Formula
C24H34Br2F2N2O
SMILES
CCCCCCCCC(CCCCCC)COC1=CN=C2C(=C(C(=C(C2=N1)Br)F)F)Br
InChI
InChI=1S/C24H34Br2F2N2O/c1-3-5-7-9-10-12-14-17(13-11-8-6-4-2)16-31-18-15-29-23-19(25)21(27)22(28)20(26)24(23)30-18/h15,17H,3-14,16H2,1-2H3
InChIKey
UCEZWLFJRKMVIK-UHFFFAOYSA-N
Compound name
5,8-dibromo-6,7-difluoro-2-(2-hexyldecoxy)quinoxaline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

562.1006 Da
Monoisotopic Mass

10.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 563.10788 208.8
[M+Na]+ 585.08982 216.7
[M-H]- 561.09332 210.5
[M+NH4]+ 580.13442 218.6
[M+K]+ 601.06376 198.6
[M+H-H2O]+ 545.09786 212.4
[M+HCOO]- 607.09880 216.5
[M+CH3COO]- 621.11445 245.6
[M+Na-2H]- 583.07527 207.7
[M]+ 562.10005 246.2
[M]- 562.10115 246.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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