CID 2758033

1,2-dibromo-4,5-dimethoxybenzene

Structural Information

Molecular Formula
C8H8Br2O2
SMILES
COC1=CC(=C(C=C1OC)Br)Br
InChI
InChI=1S/C8H8Br2O2/c1-11-7-3-5(9)6(10)4-8(7)12-2/h3-4H,1-2H3
InChIKey
ZYCLQXMMFJREPJ-UHFFFAOYSA-N
Compound name
1,2-dibromo-4,5-dimethoxybenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

101
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

literature stripe

Patent stripe

patents stripe