CID 87266

1-bromo-2,4-dimethoxybenzene

Structural Information

Molecular Formula
C8H9BrO2
SMILES
COC1=CC(=C(C=C1)Br)OC
InChI
InChI=1S/C8H9BrO2/c1-10-6-3-4-7(9)8(5-6)11-2/h3-5H,1-2H3
InChIKey
NIUZVSQOXJIHBL-UHFFFAOYSA-N
Compound name
1-bromo-2,4-dimethoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

918
Patents

215.97859 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.98587 135.7
[M+Na]+ 238.96781 140.0
[M+NH4]+ 234.01241 141.0
[M+K]+ 254.94175 139.7
[M-H]- 214.97131 136.6
[M+Na-2H]- 236.95326 140.0
[M]+ 215.97804 135.4
[M]- 215.97914 135.4
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