CID 5377008

4'-chlorochalcone

Structural Information

Molecular Formula
C15H11ClO
SMILES
C1=CC=C(C=C1)/C=C/C(=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C15H11ClO/c16-14-9-7-13(8-10-14)15(17)11-6-12-4-2-1-3-5-12/h1-11H/b11-6+
InChIKey
HIINIOLNGCQCSM-IZZDOVSWSA-N
Compound name
(E)-1-(4-chlorophenyl)-3-phenylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

7
References

78
Patents

242.04984 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.057116 152.1
[M+Na]+ 265.039058 160.5
[M-H]- 241.042564 158.6
[M+NH4]+ 260.083663 170.2
[M+K]+ 281.012998 154.2
[M+H-H2O]+ 225.047100 145.7
[M+HCOO]- 287.048041 171.2
[M+CH3COO]- 301.063691 190.5
[M+Na-2H]- 263.024506 157.2
[M]+ 242.04929142 153.5
[M]- 242.05038858 153.5
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