CID 81718590

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

Structural Information

Molecular Formula
C8H8BrClO2
SMILES
COC1=CC(=C(C(=C1)Br)Cl)OC
InChI
InChI=1S/C8H8BrClO2/c1-11-5-3-6(9)8(10)7(4-5)12-2/h3-4H,1-2H3
InChIKey
DDWCSARAFAAXOC-UHFFFAOYSA-N
Compound name
1-bromo-2-chloro-3,5-dimethoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.93962 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.946896 138.9
[M+Na]+ 272.928838 153.4
[M-H]- 248.932344 146.0
[M+NH4]+ 267.973443 161.5
[M+K]+ 288.902778 141.7
[M+H-H2O]+ 232.936880 140.4
[M+HCOO]- 294.937821 157.3
[M+CH3COO]- 308.953471 189.7
[M+Na-2H]- 270.914286 146.4
[M]+ 249.93907142 162.6
[M]- 249.94016858 162.6
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

No patent data available for this compound.