CID 92889

1-(2,4-dichlorophenyl)ethanol

Structural Information

Molecular Formula
C8H8Cl2O
SMILES
CC(C1=C(C=C(C=C1)Cl)Cl)O
InChI
InChI=1S/C8H8Cl2O/c1-5(11)7-3-2-6(9)4-8(7)10/h2-5,11H,1H3
InChIKey
KWZDYNBHZMQRLS-UHFFFAOYSA-N
Compound name
1-(2,4-dichlorophenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

166
Patents

189.99522 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.002496 133.0
[M+Na]+ 212.984438 143.2
[M-H]- 188.987944 135.2
[M+NH4]+ 208.029043 153.7
[M+K]+ 228.958378 138.1
[M+H-H2O]+ 172.992480 130.1
[M+HCOO]- 234.993421 146.0
[M+CH3COO]- 249.009071 179.5
[M+Na-2H]- 210.969886 137.6
[M]+ 189.99467142 135.2
[M]- 189.99576858 135.2
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