CID 3084822

Ai3-31286

Structural Information

Molecular Formula
C12H6Cl4O2
SMILES
C1=C(C=C(C(=C1Cl)C2=C(C=C(C=C2Cl)O)Cl)Cl)O
InChI
InChI=1S/C12H6Cl4O2/c13-7-1-5(17)2-8(14)11(7)12-9(15)3-6(18)4-10(12)16/h1-4,17-18H
InChIKey
CUBQDFRSSGBHPM-UHFFFAOYSA-N
Compound name
3,5-dichloro-4-(2,6-dichloro-4-hydroxyphenyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

321.9122 Da
Monoisotopic Mass

5.3
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

No literature data available for this compound.

Patent stripe

patents stripe