CID 21013

2,3,4,5-tetrachlorophenol

Structural Information

Molecular Formula
C6H2Cl4O
SMILES
C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)O
InChI
InChI=1S/C6H2Cl4O/c7-2-1-3(11)5(9)6(10)4(2)8/h1,11H
InChIKey
RULKYXXCCZZKDZ-UHFFFAOYSA-N
Compound name
2,3,4,5-tetrachlorophenol
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

51
References

3577
Patents

229.88597 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.893246 136.8
[M+Na]+ 252.875188 148.7
[M-H]- 228.878694 136.7
[M+NH4]+ 247.919793 155.5
[M+K]+ 268.849128 142.7
[M+H-H2O]+ 212.883230 135.6
[M+HCOO]- 274.884171 140.1
[M+CH3COO]- 288.899821 187.2
[M+Na-2H]- 250.860636 139.6
[M]+ 229.88542142 138.4
[M]- 229.88651858 138.4
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