CID 291194

2,5-dimethoxybenzyl chloride

Structural Information

Molecular Formula
C9H11ClO2
SMILES
COC1=CC(=C(C=C1)OC)CCl
InChI
InChI=1S/C9H11ClO2/c1-11-8-3-4-9(12-2)7(5-8)6-10/h3-5H,6H2,1-2H3
InChIKey
NJBICLSFUUJIDH-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-1,4-dimethoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

151
Patents

186.04475 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.05203 134.6
[M+Na]+ 209.03397 149.3
[M+NH4]+ 204.07857 144.1
[M+K]+ 225.00791 141.9
[M-H]- 185.03747 137.3
[M+Na-2H]- 207.01942 142.4
[M]+ 186.04420 137.9
[M]- 186.04530 137.9
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