CID 292881

Dtxsid901198651

Structural Information

Molecular Formula

C₁₇H₁₅ClO₃

SMILES

COC1=CC(=C(C=C1)C=CC(=O)C2=CC=C(C=C2)Cl)OC

InChI

InChI=1S/C17H15ClO3/c1-20-15-9-5-13(17(11-15)21-2)6-10-16(19)12-3-7-14(18)8-4-12/h3-11H,1-2H3

InChIKey

RIAYIRFYWCEXLV-UHFFFAOYSA-N

Compound name

1-(4-chlorophenyl)-3-(2,4-dimethoxyphenyl)prop-2-en-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 8
References: 31
Patents: 302.07098 Da
Monoisotopic Mass: 4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	303.07826	166.5
[M+Na]+	325.06020	175.7
[M-H]-	301.06370	173.5
[M+NH4]+	320.10480	182.7
[M+K]+	341.03414	170.4
[M+H-H2O]+	285.06824	159.7
[M+HCOO]-	347.06918	185.4
[M+CH3COO]-	361.08483	202.8
[M+Na-2H]-	323.04565	169.2
[M]+	302.07043	172.3
[M]-	302.07153	172.3

Literature stripe

literature stripe

Patent stripe

patents stripe