CID 92328

Diallyl tetrabromophthalate

Structural Information

Molecular Formula
C14H10Br4O4
SMILES
C=CCOC(=O)C1=C(C(=C(C(=C1Br)Br)Br)Br)C(=O)OCC=C
InChI
InChI=1S/C14H10Br4O4/c1-3-5-21-13(19)7-8(14(20)22-6-4-2)10(16)12(18)11(17)9(7)15/h3-4H,1-2,5-6H2
InChIKey
FZGLNDYBTGMDDR-UHFFFAOYSA-N
Compound name
bis(prop-2-enyl) 3,4,5,6-tetrabromobenzene-1,2-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

416
Patents

557.73126 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 558.73854 162.4
[M+Na]+ 580.72048 168.0
[M-H]- 556.72398 166.2
[M+NH4]+ 575.76508 170.9
[M+K]+ 596.69442 154.4
[M+H-H2O]+ 540.72852 179.2
[M+HCOO]- 602.72946 167.1
[M+CH3COO]- 616.74511 243.0
[M+Na-2H]- 578.70593 162.5
[M]+ 557.73071 201.8
[M]- 557.73181 201.8
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