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

53
Patents

321.9122 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.919476 158.8
[M+Na]+ 344.901418 171.0
[M-H]- 320.904924 160.8
[M+NH4]+ 339.946023 173.8
[M+K]+ 360.875358 163.7
[M+H-H2O]+ 304.909460 156.2
[M+HCOO]- 366.910401 160.7
[M+CH3COO]- 380.926051 169.5
[M+Na-2H]- 342.886866 159.4
[M]+ 321.91165142 161.6
[M]- 321.91274858 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