CID 43426

60723-98-0

Structural Information

Molecular Formula
C17H20Br4NO2
SMILES
C[N+](C)(CCCCOC1=C(C=C(C=C1Br)Br)Br)CC2=CC=C(O2)Br
InChI
InChI=1S/C17H20Br4NO2/c1-22(2,11-13-5-6-16(21)24-13)7-3-4-8-23-17-14(19)9-12(18)10-15(17)20/h5-6,9-10H,3-4,7-8,11H2,1-2H3/q+1
InChIKey
PXBCBEKNASYDLY-UHFFFAOYSA-N
Compound name
(5-bromofuran-2-yl)methyl-dimethyl-[4-(2,4,6-tribromophenoxy)butyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

585.82275 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 586.83003 180.8
[M+Na]+ 608.81197 175.6
[M+NH4]+ 603.85657 181.5
[M+K]+ 624.78591 181.1
[M-H]- 584.81547 182.9
[M+Na-2H]- 606.79742 180.8
[M]+ 585.82220 181.1
[M]- 585.82330 181.1
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.