CID 105746

1,4-dichloro-2,5-diethoxybenzene

Structural Information

Molecular Formula
C10H12Cl2O2
SMILES
CCOC1=CC(=C(C=C1Cl)OCC)Cl
InChI
InChI=1S/C10H12Cl2O2/c1-3-13-9-5-8(12)10(14-4-2)6-7(9)11/h5-6H,3-4H2,1-2H3
InChIKey
FPPRAMDVWJLFCI-UHFFFAOYSA-N
Compound name
1,4-dichloro-2,5-diethoxybenzene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

2
Patents

234.02144 Da
Monoisotopic Mass

3.9
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

No literature data available for this compound.

Patent stripe

patents stripe