CID 3469149

2-(2-bromoethoxy)-1,3,5-triiodobenzene

Structural Information

Molecular Formula
C8H6BrI3O
SMILES
C1=C(C=C(C(=C1I)OCCBr)I)I
InChI
InChI=1S/C8H6BrI3O/c9-1-2-13-8-6(11)3-5(10)4-7(8)12/h3-4H,1-2H2
InChIKey
SRYZDGUCAJJSFM-UHFFFAOYSA-N
Compound name
2-(2-bromoethoxy)-1,3,5-triiodobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

577.6736 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 578.68088 159.3
[M+Na]+ 600.66282 151.0
[M-H]- 576.66632 151.9
[M+NH4]+ 595.70742 164.0
[M+K]+ 616.63676 158.4
[M+H-H2O]+ 560.67086 151.3
[M+HCOO]- 622.67180 164.3
[M+CH3COO]- 636.68745 225.7
[M+Na-2H]- 598.64827 146.7
[M]+ 577.67305 165.7
[M]- 577.67415 165.7
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