CID 43438

60724-11-0

Structural Information

Molecular Formula
C19H24Br4NO2
SMILES
C[N+](C)(CCCCCCOC1=C(C=C(C=C1Br)Br)Br)CC2=CC=C(O2)Br
InChI
InChI=1S/C19H24Br4NO2/c1-24(2,13-15-7-8-18(23)26-15)9-5-3-4-6-10-25-19-16(21)11-14(20)12-17(19)22/h7-8,11-12H,3-6,9-10,13H2,1-2H3/q+1
InChIKey
MTVJDRPZFGCKST-UHFFFAOYSA-N
Compound name
(5-bromofuran-2-yl)methyl-dimethyl-[6-(2,4,6-tribromophenoxy)hexyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

613.85406 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 614.86134 197.0
[M+Na]+ 636.84328 201.8
[M-H]- 612.84678 202.2
[M+NH4]+ 631.88788 204.9
[M+K]+ 652.81722 187.2
[M+H-H2O]+ 596.85132 214.0
[M+HCOO]- 658.85226 201.5
[M+CH3COO]- 672.86791 245.8
[M+Na-2H]- 634.82873 196.2
[M]+ 613.85351 237.1
[M]- 613.85461 237.1
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.