CID 257460

500292-19-3

Structural Information

Molecular Formula
C13H9Cl3O2
SMILES
C1=CC(=C(C=C1CC2=CC(=C(C(=C2)Cl)O)Cl)Cl)O
InChI
InChI=1S/C13H9Cl3O2/c14-9-4-7(1-2-12(9)17)3-8-5-10(15)13(18)11(16)6-8/h1-2,4-6,17-18H,3H2
InChIKey
CGSLZLIIGZROSX-UHFFFAOYSA-N
Compound name
2,6-dichloro-4-[(3-chloro-4-hydroxyphenyl)methyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.96683 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.974106 157.8
[M+Na]+ 324.956048 169.5
[M-H]- 300.959554 161.1
[M+NH4]+ 320.000653 173.8
[M+K]+ 340.929988 161.8
[M+H-H2O]+ 284.964090 154.2
[M+HCOO]- 346.965031 164.9
[M+CH3COO]- 360.980681 197.4
[M+Na-2H]- 322.941496 159.8
[M]+ 301.96628142 161.4
[M]- 301.96737858 161.4
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.