CID 82401

2,4-dichloro-1-(2-ethoxyethoxy)benzene

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]+ 235.02872 145.2
[M+Na]+ 257.01066 155.2
[M-H]- 233.01416 148.4
[M+NH4]+ 252.05526 164.9
[M+K]+ 272.98460 150.6
[M+H-H2O]+ 217.01870 141.1
[M+HCOO]- 279.01964 160.2
[M+CH3COO]- 293.03529 189.1
[M+Na-2H]- 254.99611 150.3
[M]+ 234.02089 152.0
[M]- 234.02199 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.