CID 7258

3,4-dichlorophenol

Structural Information

Molecular Formula
C6H4Cl2O
SMILES
C1=CC(=C(C=C1O)Cl)Cl
InChI
InChI=1S/C6H4Cl2O/c7-5-2-1-4(9)3-6(5)8/h1-3,9H
InChIKey
WDNBURPWRNALGP-UHFFFAOYSA-N
Compound name
3,4-dichlorophenol
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

31
References

4479
Patents

161.96391 Da
Monoisotopic Mass

3.3
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

patents stripe