CID 8449

2,4-dichlorophenol

Structural Information

Molecular Formula
C6H4Cl2O
SMILES
C1=CC(=C(C=C1Cl)Cl)O
InChI
InChI=1S/C6H4Cl2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H
InChIKey
HFZWRUODUSTPEG-UHFFFAOYSA-N
Compound name
2,4-dichlorophenol
Related CIDs

2D Structure

compound 2d structure
10
Annotation Hits

951
References

13369
Patents

161.96391 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.97119 124.6
[M+Na]+ 184.95313 140.2
[M+NH4]+ 179.99773 134.7
[M+K]+ 200.92707 132.6
[M-H]- 160.95663 127.0
[M+Na-2H]- 182.93858 132.9
[M]+ 161.96336 128.2
[M]- 161.96446 128.2
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

No patent data available for this compound.