CID 6048579

3,4-dichloro-4'-phenylchalcone

Structural Information

Molecular Formula
C21H14Cl2O
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)/C=C/C3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C21H14Cl2O/c22-19-12-6-15(14-20(19)23)7-13-21(24)18-10-8-17(9-11-18)16-4-2-1-3-5-16/h1-14H/b13-7+
InChIKey
SWZFTHZPZKLYGN-NTUHNPAUSA-N
Compound name
(E)-3-(3,4-dichlorophenyl)-1-(4-phenylphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.04218 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.04946 180.4
[M+Na]+ 375.03140 189.6
[M-H]- 351.03490 189.0
[M+NH4]+ 370.07600 194.4
[M+K]+ 391.00534 180.5
[M+H-H2O]+ 335.03944 172.5
[M+HCOO]- 397.04038 193.5
[M+CH3COO]- 411.05603 191.2
[M+Na-2H]- 373.01685 182.3
[M]+ 352.04163 183.6
[M]- 352.04273 183.6
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

No patent data available for this compound.