CID 11645053

1,3-dibromo-2,4-dimethoxybenzene

Structural Information

Molecular Formula
C8H8Br2O2
SMILES
COC1=C(C(=C(C=C1)Br)OC)Br
InChI
InChI=1S/C8H8Br2O2/c1-11-6-4-3-5(9)8(12-2)7(6)10/h3-4H,1-2H3
InChIKey
UZFUWYMMUGVSCE-UHFFFAOYSA-N
Compound name
1,3-dibromo-2,4-dimethoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

293.8891 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.896376 137.1
[M+Na]+ 316.878318 149.1
[M-H]- 292.881824 144.4
[M+NH4]+ 311.922923 156.9
[M+K]+ 332.852258 134.6
[M+H-H2O]+ 276.886360 145.2
[M+HCOO]- 338.887301 154.2
[M+CH3COO]- 352.902951 203.3
[M+Na-2H]- 314.863766 144.5
[M]+ 293.88855142 173.6
[M]- 293.88964858 173.6
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