CID 15217511

Chembl230242

Structural Information

Molecular Formula
C20H18Cl2O2
SMILES
C=CCC1=C(C=CC(=C1)C(=C(Cl)Cl)C2=CC(=C(C=C2)O)CC=C)O
InChI
InChI=1S/C20H18Cl2O2/c1-3-5-13-11-15(7-9-17(13)23)19(20(21)22)16-8-10-18(24)14(12-16)6-4-2/h3-4,7-12,23-24H,1-2,5-6H2
InChIKey
DWSCKTNCIQFODH-UHFFFAOYSA-N
Compound name
4-[2,2-dichloro-1-(4-hydroxy-3-prop-2-enylphenyl)ethenyl]-2-prop-2-enylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

360.0684 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.07568 180.6
[M+Na]+ 383.05762 189.0
[M-H]- 359.06112 184.0
[M+NH4]+ 378.10222 193.8
[M+K]+ 399.03156 179.5
[M+H-H2O]+ 343.06566 175.4
[M+HCOO]- 405.06660 189.6
[M+CH3COO]- 419.08225 210.3
[M+Na-2H]- 381.04307 178.4
[M]+ 360.06785 182.9
[M]- 360.06895 182.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe