CID 16217777

Pentabromobenzyl methacrylate

Structural Information

Molecular Formula
C11H7Br5O2
SMILES
CC(=C)C(=O)OCC1=C(C(=C(C(=C1Br)Br)Br)Br)Br
InChI
InChI=1S/C11H7Br5O2/c1-4(2)11(17)18-3-5-6(12)8(14)10(16)9(15)7(5)13/h1,3H2,2H3
InChIKey
QJCKBPDVTNESEF-UHFFFAOYSA-N
Compound name
(2,3,4,5,6-pentabromophenyl)methyl 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

561
Patents

565.6363 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 566.64358 170.5
[M+Na]+ 588.62552 177.6
[M-H]- 564.62902 174.0
[M+NH4]+ 583.67012 177.5
[M+K]+ 604.59946 165.9
[M+H-H2O]+ 548.63356 187.4
[M+HCOO]- 610.63450 173.5
[M+CH3COO]- 624.65015 247.4
[M+Na-2H]- 586.61097 169.5
[M]+ 565.63575 201.0
[M]- 565.63685 201.0
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