CID 82401

Ethane, 1-(2,4-dichlorophenoxy)-2-ethoxy-

Structural Information

Molecular Formula
C10H12Cl2O2
SMILES
CCOCCOC1=C(C=C(C=C1)Cl)Cl
InChI
InChI=1S/C10H12Cl2O2/c1-2-13-5-6-14-10-4-3-8(11)7-9(10)12/h3-4,7H,2,5-6H2,1H3
InChIKey
XFTJLWMVEBPEKO-UHFFFAOYSA-N
Compound name
2,4-dichloro-1-(2-ethoxyethoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 145.2
[M+Na]+ 257.010658 155.2
[M-H]- 233.014164 148.4
[M+NH4]+ 252.055263 164.9
[M+K]+ 272.984598 150.6
[M+H-H2O]+ 217.018700 141.1
[M+HCOO]- 279.019641 160.2
[M+CH3COO]- 293.035291 189.1
[M+Na-2H]- 254.996106 150.3
[M]+ 234.02089142 152.0
[M]- 234.02198858 152.0
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

No patent data available for this compound.