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

3
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

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