CID 12935958

1,3,5-tribromo-2-(ethenyloxy)benzene

Structural Information

Molecular Formula
C8H5Br3O
SMILES
C=COC1=C(C=C(C=C1Br)Br)Br
InChI
InChI=1S/C8H5Br3O/c1-2-12-8-6(10)3-5(9)4-7(8)11/h2-4H,1H2
InChIKey
JECCLIFUKCIFQT-UHFFFAOYSA-N
Compound name
1,3,5-tribromo-2-ethenoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

353.78906 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.79634 136.5
[M+Na]+ 376.77828 145.4
[M-H]- 352.78178 142.3
[M+NH4]+ 371.82288 151.8
[M+K]+ 392.75222 130.0
[M+H-H2O]+ 336.78632 151.6
[M+HCOO]- 398.78726 147.4
[M+CH3COO]- 412.80291 220.0
[M+Na-2H]- 374.76373 142.3
[M]+ 353.78851 177.9
[M]- 353.78961 177.9
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