CID 6899

2,6-dichlorophenol

Structural Information

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

2D Structure

compound 2d structure
6
Annotation Hits

95
References

5602
Patents

161.96391 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.97119 124.1
[M+Na]+ 184.95313 135.3
[M-H]- 160.95663 126.5
[M+NH4]+ 179.99773 145.9
[M+K]+ 200.92707 130.3
[M+H-H2O]+ 144.96117 121.5
[M+HCOO]- 206.96211 138.7
[M+CH3COO]- 220.97776 172.8
[M+Na-2H]- 182.93858 130.9
[M]+ 161.96336 126.1
[M]- 161.96446 126.1
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

No patent data available for this compound.