CID 177870

149111-99-9

Structural Information

Molecular Formula
C12H5Cl5O
SMILES
C1=C(C=C(C(=C1Cl)C2=C(C=C(C=C2Cl)Cl)Cl)Cl)O
InChI
InChI=1S/C12H5Cl5O/c13-5-1-7(14)11(8(15)2-5)12-9(16)3-6(18)4-10(12)17/h1-4,18H
InChIKey
RZLUZWTWKRJNJR-UHFFFAOYSA-N
Compound name
3,5-dichloro-4-(2,4,6-trichlorophenyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.8783 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.885576 164.5
[M+Na]+ 362.867518 175.8
[M-H]- 338.871024 165.1
[M+NH4]+ 357.912123 178.4
[M+K]+ 378.841458 169.2
[M+H-H2O]+ 322.875560 161.6
[M+HCOO]- 384.876501 161.7
[M+CH3COO]- 398.892151 173.7
[M+Na-2H]- 360.852966 163.5
[M]+ 339.87775142 165.7
[M]- 339.87884858 165.7
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.