CID 10889743

1-bromo-2,4-dimethoxy-3-methylbenzene

Structural Information

Molecular Formula
C9H11BrO2
SMILES
CC1=C(C=CC(=C1OC)Br)OC
InChI
InChI=1S/C9H11BrO2/c1-6-8(11-2)5-4-7(10)9(6)12-3/h4-5H,1-3H3
InChIKey
WXHZGDILTIFQDK-UHFFFAOYSA-N
Compound name
1-bromo-2,4-dimethoxy-3-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

76
Patents

229.99425 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.00153 139.6
[M+Na]+ 252.98347 144.1
[M+NH4]+ 248.02807 144.9
[M+K]+ 268.95741 143.8
[M-H]- 228.98697 140.6
[M+Na-2H]- 250.96892 143.5
[M]+ 229.99370 139.4
[M]- 229.99480 139.4
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

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