CID 285896

1-bromo-2,4,5-trimethoxybenzene

Structural Information

Molecular Formula
C9H11BrO3
SMILES
COC1=CC(=C(C=C1OC)Br)OC
InChI
InChI=1S/C9H11BrO3/c1-11-7-5-9(13-3)8(12-2)4-6(7)10/h4-5H,1-3H3
InChIKey
SFEPXIIFUHNCDO-UHFFFAOYSA-N
Compound name
1-bromo-2,4,5-trimethoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

37
Patents

245.98917 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.99645 143.1
[M+Na]+ 268.97839 147.1
[M+NH4]+ 264.02299 147.8
[M+K]+ 284.95233 147.2
[M-H]- 244.98189 143.5
[M+Na-2H]- 266.96384 146.5
[M]+ 245.98862 142.6
[M]- 245.98972 142.6
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