CID 4695680

1-(4-chlorophenyl)-3-(4-iodoanilino)-1-propanone

Structural Information

Molecular Formula

C₁₅H₁₃ClINO

SMILES

C1=CC(=CC=C1C(=O)CCNC2=CC=C(C=C2)I)Cl

InChI

InChI=1S/C15H13ClINO/c16-12-3-1-11(2-4-12)15(19)9-10-18-14-7-5-13(17)6-8-14/h1-8,18H,9-10H2

InChIKey

HDDILZBRCDKRJZ-UHFFFAOYSA-N

Compound name

1-(4-chlorophenyl)-3-(4-iodoanilino)propan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 384.97305 Da
Monoisotopic Mass: 5.0
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]+	385.980326	172.1
[M+Na]+	407.962268	172.5
[M-H]-	383.965774	171.0
[M+NH4]+	403.006873	183.6
[M+K]+	423.936208	172.6
[M+H-H2O]+	367.970310	161.3
[M+HCOO]-	429.971251	186.6
[M+CH3COO]-	443.986901	208.1
[M+Na-2H]-	405.947716	164.2
[M]+	384.97250142	171.1
[M]-	384.97359858	171.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.