CID 212559

2,4-dichloro-6-ethylphenol

Structural Information

Molecular Formula
C8H8Cl2O
SMILES
CCC1=C(C(=CC(=C1)Cl)Cl)O
InChI
InChI=1S/C8H8Cl2O/c1-2-5-3-6(9)4-7(10)8(5)11/h3-4,11H,2H2,1H3
InChIKey
SLZAAZXYSOSHPM-UHFFFAOYSA-N
Compound name
2,4-dichloro-6-ethylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

189.99522 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.002496 132.8
[M+Na]+ 212.984438 144.2
[M-H]- 188.987944 135.3
[M+NH4]+ 208.029043 153.9
[M+K]+ 228.958378 138.8
[M+H-H2O]+ 172.992480 130.1
[M+HCOO]- 234.993421 146.8
[M+CH3COO]- 249.009071 179.8
[M+Na-2H]- 210.969886 137.9
[M]+ 189.99467142 136.0
[M]- 189.99576858 136.0
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

patents stripe