CID 44629789

2,6-bis(chloromethyl)-1,4-dimethoxybenzene

Structural Information

Molecular Formula
C10H12Cl2O2
SMILES
COC1=CC(=C(C(=C1)CCl)OC)CCl
InChI
InChI=1S/C10H12Cl2O2/c1-13-9-3-7(5-11)10(14-2)8(4-9)6-12/h3-4H,5-6H2,1-2H3
InChIKey
YMYUSUWLRACOTR-UHFFFAOYSA-N
Compound name
1,3-bis(chloromethyl)-2,5-dimethoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

234.02144 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.028716 144.5
[M+Na]+ 257.010658 155.4
[M-H]- 233.014164 148.1
[M+NH4]+ 252.055263 164.6
[M+K]+ 272.984598 150.9
[M+H-H2O]+ 217.018700 140.8
[M+HCOO]- 279.019641 159.6
[M+CH3COO]- 293.035291 190.3
[M+Na-2H]- 254.996106 149.1
[M]+ 234.02089142 151.8
[M]- 234.02198858 151.8
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