CID 348454

2,6-dichloro-4-ethylphenol

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

89
Patents

189.99522 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.00250 132.8
[M+Na]+ 212.98444 144.2
[M-H]- 188.98794 135.3
[M+NH4]+ 208.02904 153.9
[M+K]+ 228.95838 138.8
[M+H-H2O]+ 172.99248 130.1
[M+HCOO]- 234.99342 146.8
[M+CH3COO]- 249.00907 179.8
[M+Na-2H]- 210.96989 137.9
[M]+ 189.99467 136.0
[M]- 189.99577 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