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

48
Patents

293.8891 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.89638 137.1
[M+Na]+ 316.87832 149.1
[M-H]- 292.88182 144.4
[M+NH4]+ 311.92292 156.9
[M+K]+ 332.85226 134.6
[M+H-H2O]+ 276.88636 145.2
[M+HCOO]- 338.88730 154.2
[M+CH3COO]- 352.90295 203.3
[M+Na-2H]- 314.86377 144.5
[M]+ 293.88855 173.6
[M]- 293.88965 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