CID 16728414

N,n-dimethyl-2-[(4,5,6-tribromo-2,2-dimethyl-3h-benzofuran-7-yl)oxy]ethanamine

Structural Information

Molecular Formula
C14H18Br3NO2
SMILES
CC1(CC2=C(O1)C(=C(C(=C2Br)Br)Br)OCCN(C)C)C
InChI
InChI=1S/C14H18Br3NO2/c1-14(2)7-8-9(15)10(16)11(17)13(12(8)20-14)19-6-5-18(3)4/h5-7H2,1-4H3
InChIKey
ZLDYRUOTSIDCEL-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-[(4,5,6-tribromo-2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

468.88876 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.89604 168.1
[M+Na]+ 491.87798 175.9
[M-H]- 467.88148 175.1
[M+NH4]+ 486.92258 182.8
[M+K]+ 507.85192 161.9
[M+H-H2O]+ 451.88602 182.3
[M+HCOO]- 513.88696 177.3
[M+CH3COO]- 527.90261 235.1
[M+Na-2H]- 489.86343 170.7
[M]+ 468.88821 211.7
[M]- 468.88931 211.7
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.