CID 62616

6642-07-5

Structural Information

Molecular Formula
C20H15Cl3O3
SMILES
C1=CC(=C(C=C1Cl)CC2=CC(=CC(=C2O)CC3=C(C=CC(=C3)Cl)O)Cl)O
InChI
InChI=1S/C20H15Cl3O3/c21-15-1-3-18(24)11(7-15)5-13-9-17(23)10-14(20(13)26)6-12-8-16(22)2-4-19(12)25/h1-4,7-10,24-26H,5-6H2
InChIKey
FXHQZEJEBWTOJA-UHFFFAOYSA-N
Compound name
4-chloro-2,6-bis[(5-chloro-2-hydroxyphenyl)methyl]phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

13
References

42
Patents

408.00867 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.01595 186.2
[M+Na]+ 430.99789 197.3
[M-H]- 407.00139 191.2
[M+NH4]+ 426.04249 197.4
[M+K]+ 446.97183 188.5
[M+H-H2O]+ 391.00593 180.7
[M+HCOO]- 453.00687 191.1
[M+CH3COO]- 467.02252 195.6
[M+Na-2H]- 428.98334 185.3
[M]+ 408.00812 190.8
[M]- 408.00922 190.8
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.