CID 59315531

5-bromo-2-iodo-1,3-dimethoxybenzene

Structural Information

Molecular Formula
C8H8BrIO2
SMILES
COC1=CC(=CC(=C1I)OC)Br
InChI
InChI=1S/C8H8BrIO2/c1-11-6-3-5(9)4-7(12-2)8(6)10/h3-4H,1-2H3
InChIKey
CNNQHSHLKMVLHZ-UHFFFAOYSA-N
Compound name
5-bromo-2-iodo-1,3-dimethoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

341.87524 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.88252 149.0
[M+Na]+ 364.86446 155.1
[M-H]- 340.86796 149.2
[M+NH4]+ 359.90906 166.2
[M+K]+ 380.83840 151.1
[M+H-H2O]+ 324.87250 145.6
[M+HCOO]- 386.87344 166.5
[M+CH3COO]- 400.88909 196.6
[M+Na-2H]- 362.84991 144.6
[M]+ 341.87469 167.2
[M]- 341.87579 167.2
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