CID 62093

Tetrabromobisphenol a diacrylate

Structural Information

Molecular Formula
C21H16Br4O4
SMILES
CC(C)(C1=CC(=C(C(=C1)Br)OC(=O)C=C)Br)C2=CC(=C(C(=C2)Br)OC(=O)C=C)Br
InChI
InChI=1S/C21H16Br4O4/c1-5-17(26)28-19-13(22)7-11(8-14(19)23)21(3,4)12-9-15(24)20(16(25)10-12)29-18(27)6-2/h5-10H,1-2H2,3-4H3
InChIKey
VSVDQVJQWXJJSS-UHFFFAOYSA-N
Compound name
[2,6-dibromo-4-[2-(3,5-dibromo-4-prop-2-enoyloxyphenyl)propan-2-yl]phenyl] prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1121
Patents

647.7782 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 648.78548 182.8
[M+Na]+ 670.76742 187.3
[M-H]- 646.77092 187.3
[M+NH4]+ 665.81202 189.7
[M+K]+ 686.74136 174.5
[M+H-H2O]+ 630.77546 199.4
[M+HCOO]- 692.77640 186.2
[M+CH3COO]- 706.79205 248.7
[M+Na-2H]- 668.75287 181.2
[M]+ 647.77765 221.9
[M]- 647.77875 221.9
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

patents stripe