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

137
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 139.7
[M+Na]+ 252.98347 151.9
[M-H]- 228.98697 146.4
[M+NH4]+ 248.02807 161.8
[M+K]+ 268.95741 142.0
[M+H-H2O]+ 212.99151 140.0
[M+HCOO]- 274.99245 162.1
[M+CH3COO]- 289.00810 187.9
[M+Na-2H]- 250.96892 147.5
[M]+ 229.99370 161.6
[M]- 229.99480 161.6
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