CID 3346404

1-bromo-2-iodo-4,5-dimethoxybenzene

Structural Information

Molecular Formula
C8H8BrIO2
SMILES
COC1=CC(=C(C=C1OC)I)Br
InChI
InChI=1S/C8H8BrIO2/c1-11-7-3-5(9)6(10)4-8(7)12-2/h3-4H,1-2H3
InChIKey
SMPDNDHPWVUHMF-UHFFFAOYSA-N
Compound name
1-bromo-2-iodo-4,5-dimethoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
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

literature stripe

Patent stripe

patents stripe