CID 114771966

1-bromo-3-(2-iodo-1-methoxyethyl)benzene

Structural Information

Molecular Formula
C9H10BrIO
SMILES
COC(CI)C1=CC(=CC=C1)Br
InChI
InChI=1S/C9H10BrIO/c1-12-9(6-11)7-3-2-4-8(10)5-7/h2-5,9H,6H2,1H3
InChIKey
FTNYPDYQDQAJPY-UHFFFAOYSA-N
Compound name
1-bromo-3-(2-iodo-1-methoxyethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.89597 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.90325 149.7
[M+Na]+ 362.88519 147.2
[M+NH4]+ 357.92979 151.4
[M+K]+ 378.85913 149.2
[M-H]- 338.88869 145.3
[M+Na-2H]- 360.87064 142.8
[M]+ 339.89542 146.1
[M]- 339.89652 146.1
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

No patent data available for this compound.