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

3562
Patents

229.88597 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.89325 136.8
[M+Na]+ 252.87519 148.7
[M-H]- 228.87869 136.7
[M+NH4]+ 247.91979 155.5
[M+K]+ 268.84913 142.7
[M+H-H2O]+ 212.88323 135.6
[M+HCOO]- 274.88417 140.1
[M+CH3COO]- 288.89982 187.2
[M+Na-2H]- 250.86064 139.6
[M]+ 229.88542 138.4
[M]- 229.88652 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.