CID 592021

2-(bromomethyl)-1,4-dimethoxybenzene

Structural Information

Molecular Formula
C9H11BrO2
SMILES
COC1=CC(=C(C=C1)OC)CBr
InChI
InChI=1S/C9H11BrO2/c1-11-8-3-4-9(12-2)7(5-8)6-10/h3-5H,6H2,1-2H3
InChIKey
CZDKYDOSKNCXSM-UHFFFAOYSA-N
Compound name
2-(bromomethyl)-1,4-dimethoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

143
Patents

229.99425 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.00153 140.2
[M+Na]+ 252.98347 144.4
[M+NH4]+ 248.02807 145.5
[M+K]+ 268.95741 143.9
[M-H]- 228.98697 141.1
[M+Na-2H]- 250.96892 144.3
[M]+ 229.99370 139.9
[M]- 229.99480 139.9
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