CID 22116417

1-(2-bromoethyl)-4-iodobenzene

Structural Information

Molecular Formula
C8H8BrI
SMILES
C1=CC(=CC=C1CCBr)I
InChI
InChI=1S/C8H8BrI/c9-6-5-7-1-3-8(10)4-2-7/h1-4H,5-6H2
InChIKey
ZWLNEJDQUXPNNJ-UHFFFAOYSA-N
Compound name
1-(2-bromoethyl)-4-iodobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

309.8854 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.89268 143.5
[M+Na]+ 332.87462 148.3
[M-H]- 308.87812 143.0
[M+NH4]+ 327.91922 161.5
[M+K]+ 348.84856 143.3
[M+H-H2O]+ 292.88266 140.4
[M+HCOO]- 354.88360 160.7
[M+CH3COO]- 368.89925 191.2
[M+Na-2H]- 330.86007 140.4
[M]+ 309.88485 158.5
[M]- 309.88595 158.5
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