CID 169088061

5,8-dibromo-6,7-difluoro-2-((2-hexyldecyl)oxy)-3-methylquinoxaline

Structural Information

Molecular Formula
C25H36Br2F2N2O
SMILES
CCCCCCCCC(CCCCCC)COC1=C(N=C2C(=C(C(=C(C2=N1)Br)F)F)Br)C
InChI
InChI=1S/C25H36Br2F2N2O/c1-4-6-8-10-11-13-15-18(14-12-9-7-5-2)16-32-25-17(3)30-23-19(26)21(28)22(29)20(27)24(23)31-25/h18H,4-16H2,1-3H3
InChIKey
NFGJISJZWHHYIO-UHFFFAOYSA-N
Compound name
5,8-dibromo-6,7-difluoro-2-(2-hexyldecoxy)-3-methylquinoxaline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

576.1163 Da
Monoisotopic Mass

11.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 577.12358 212.5
[M+Na]+ 599.10552 220.7
[M-H]- 575.10902 214.3
[M+NH4]+ 594.15012 222.1
[M+K]+ 615.07946 202.4
[M+H-H2O]+ 559.11356 216.0
[M+HCOO]- 621.11450 219.9
[M+CH3COO]- 635.13015 248.7
[M+Na-2H]- 597.09097 210.4
[M]+ 576.11575 250.4
[M]- 576.11685 250.4
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

No patent data available for this compound.