CID 79361

2,4-dichloro-1-ethoxybenzene

Structural Information

Molecular Formula
C8H8Cl2O
SMILES
CCOC1=C(C=C(C=C1)Cl)Cl
InChI
InChI=1S/C8H8Cl2O/c1-2-11-8-4-3-6(9)5-7(8)10/h3-5H,2H2,1H3
InChIKey
AWPAAILWWGKSIF-UHFFFAOYSA-N
Compound name
2,4-dichloro-1-ethoxybenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

236
Patents

189.99522 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.002496 133.0
[M+Na]+ 212.984438 143.9
[M-H]- 188.987944 136.5
[M+NH4]+ 208.029043 154.5
[M+K]+ 228.958378 139.3
[M+H-H2O]+ 172.992480 129.6
[M+HCOO]- 234.993421 148.5
[M+CH3COO]- 249.009071 181.3
[M+Na-2H]- 210.969886 139.3
[M]+ 189.99467142 137.7
[M]- 189.99576858 137.7
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