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]+ 340.88558 164.5
[M+Na]+ 362.86752 175.8
[M-H]- 338.87102 165.1
[M+NH4]+ 357.91212 178.4
[M+K]+ 378.84146 169.2
[M+H-H2O]+ 322.87556 161.6
[M+HCOO]- 384.87650 161.7
[M+CH3COO]- 398.89215 173.7
[M+Na-2H]- 360.85297 163.5
[M]+ 339.87775 165.7
[M]- 339.87885 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.