CID 91820

25713-60-4

Structural Information

Molecular Formula
C21H6Br9N3O3
SMILES
C1=C(C=C(C(=C1Br)OC2=NC(=NC(=N2)OC3=C(C=C(C=C3Br)Br)Br)OC4=C(C=C(C=C4Br)Br)Br)Br)Br
InChI
InChI=1S/C21H6Br9N3O3/c22-7-1-10(25)16(11(26)2-7)34-19-31-20(35-17-12(27)3-8(23)4-13(17)28)33-21(32-19)36-18-14(29)5-9(24)6-15(18)30/h1-6H
InChIKey
BDFBPPCACYFGFA-UHFFFAOYSA-N
Compound name
2,4,6-tris(2,4,6-tribromophenoxy)-1,3,5-triazine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

7
References

1750
Patents

1058.3059 Da
Monoisotopic Mass

11.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1059.3132 169.8
[M+Na]+ 1081.2951 169.8
[M+NH4]+ 1076.3397 169.8
[M+K]+ 1097.2691 169.8
[M-H]- 1057.2986 169.8
[M+Na-2H]- 1079.2806 169.8
[M]+ 1058.3054 169.8
[M]- 1058.3064 169.8
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

patents stripe