CID 77343

2,4,6-tribromophenyl acrylate

Structural Information

Molecular Formula
C9H5Br3O2
SMILES
C=CC(=O)OC1=C(C=C(C=C1Br)Br)Br
InChI
InChI=1S/C9H5Br3O2/c1-2-8(13)14-9-6(11)3-5(10)4-7(9)12/h2-4H,1H2
InChIKey
CNLVUQQHXLTOTC-UHFFFAOYSA-N
Compound name
(2,4,6-tribromophenyl) prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2089
Patents

381.78397 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.79125 141.5
[M+Na]+ 404.77319 150.0
[M-H]- 380.77669 147.3
[M+NH4]+ 399.81779 156.0
[M+K]+ 420.74713 134.6
[M+H-H2O]+ 364.78123 156.2
[M+HCOO]- 426.78217 151.9
[M+CH3COO]- 440.79782 222.2
[M+Na-2H]- 402.75864 146.2
[M]+ 381.78342 183.1
[M]- 381.78452 183.1
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