CID 134713

2-oh-cl-7-dpe

Structural Information

Molecular Formula
C12H3Cl7O2
SMILES
C1=C(C(=CC(=C1Cl)Cl)OC2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl)O
InChI
InChI=1S/C12H3Cl7O2/c13-3-1-5(20)6(2-4(3)14)21-12-10(18)8(16)7(15)9(17)11(12)19/h1-2,20H
InChIKey
FWHNZRVEFJWUNF-UHFFFAOYSA-N
Compound name
4,5-dichloro-2-(2,3,4,5,6-pentachlorophenoxy)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

423.7953 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.80258 183.5
[M+Na]+ 446.78452 192.2
[M-H]- 422.78802 179.3
[M+NH4]+ 441.82912 192.1
[M+K]+ 462.75846 189.1
[M+H-H2O]+ 406.79256 180.9
[M+HCOO]- 468.79350 170.6
[M+CH3COO]- 482.80915 188.1
[M+Na-2H]- 444.76997 177.2
[M]+ 423.79475 180.6
[M]- 423.79585 180.6
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.