CID 39896

51109-11-6

Structural Information

Molecular Formula
C12H6Cl4O
SMILES
C1=CC(=C(C=C1C2=C(C(=C(C=C2)Cl)O)Cl)Cl)Cl
InChI
InChI=1S/C12H6Cl4O/c13-8-3-1-6(5-10(8)15)7-2-4-9(14)12(17)11(7)16/h1-5,17H
InChIKey
BKAFWWPAYSNNLG-UHFFFAOYSA-N
Compound name
2,6-dichloro-3-(3,4-dichlorophenyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.91727 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.92455 157.4
[M+Na]+ 328.90649 169.2
[M-H]- 304.90999 160.0
[M+NH4]+ 323.95109 173.3
[M+K]+ 344.88043 161.9
[M+H-H2O]+ 288.91453 154.1
[M+HCOO]- 350.91547 160.2
[M+CH3COO]- 364.93112 168.4
[M+Na-2H]- 326.89194 158.8
[M]+ 305.91672 160.0
[M]- 305.91782 160.0
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.