CID 46155

Brn 3472087

Structural Information

Molecular Formula
C22H20Cl2O2
SMILES
CC1=CC(=C(C=C1CC2=C(C=CC(=C2)Cl)O)CC3=C(C=CC(=C3)Cl)O)C
InChI
InChI=1S/C22H20Cl2O2/c1-13-7-14(2)16(10-18-12-20(24)4-6-22(18)26)8-15(13)9-17-11-19(23)3-5-21(17)25/h3-8,11-12,25-26H,9-10H2,1-2H3
InChIKey
YSJLJKTZENIOHB-UHFFFAOYSA-N
Compound name
4-chloro-2-[[5-[(5-chloro-2-hydroxyphenyl)methyl]-2,4-dimethylphenyl]methyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.08405 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.09133 188.6
[M+Na]+ 409.07327 199.6
[M-H]- 385.07677 195.9
[M+NH4]+ 404.11787 201.3
[M+K]+ 425.04721 190.7
[M+H-H2O]+ 369.08131 181.8
[M+HCOO]- 431.08225 199.3
[M+CH3COO]- 445.09790 217.0
[M+Na-2H]- 407.05872 187.7
[M]+ 386.08350 193.7
[M]- 386.08460 193.7
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.