CID 97032

13049-13-3

Structural Information

Molecular Formula
C12H6Cl4O2
SMILES
C1=C(C=C(C(=C1Cl)O)Cl)C2=CC(=C(C(=C2)Cl)O)Cl
InChI
InChI=1S/C12H6Cl4O2/c13-7-1-5(2-8(14)11(7)17)6-3-9(15)12(18)10(16)4-6/h1-4,17-18H
InChIKey
YCYDXOVJXVALHY-UHFFFAOYSA-N
Compound name
2,6-dichloro-4-(3,5-dichloro-4-hydroxyphenyl)phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

16
References

177
Patents

321.9122 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.91948 158.8
[M+Na]+ 344.90142 171.0
[M-H]- 320.90492 160.8
[M+NH4]+ 339.94602 173.8
[M+K]+ 360.87536 163.7
[M+H-H2O]+ 304.90946 156.2
[M+HCOO]- 366.91040 160.7
[M+CH3COO]- 380.92605 169.5
[M+Na-2H]- 342.88687 159.4
[M]+ 321.91165 161.6
[M]- 321.91275 161.6
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

patents stripe