CID 6452977

54284-55-8

Structural Information

Molecular Formula
C12H4Cl6O
SMILES
C1=C(C(=CC(=C1Cl)Cl)Cl)C2=CC(=C(C(=C2Cl)O)Cl)Cl
InChI
InChI=1S/C12H4Cl6O/c13-6-3-8(15)7(14)1-4(6)5-2-9(16)11(18)12(19)10(5)17/h1-3,19H
InChIKey
ZVJPNYXNOYRCIJ-UHFFFAOYSA-N
Compound name
2,3,6-trichloro-5-(2,4,5-trichlorophenyl)phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

373.83932 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.84660 172.8
[M+Na]+ 396.82854 183.1
[M-H]- 372.83204 170.9
[M+NH4]+ 391.87314 184.3
[M+K]+ 412.80248 177.7
[M+H-H2O]+ 356.83658 170.1
[M+HCOO]- 418.83752 164.5
[M+CH3COO]- 432.85317 179.8
[M+Na-2H]- 394.81399 169.1
[M]+ 373.83877 171.6
[M]- 373.83987 171.6
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

No patent data available for this compound.