CID 3016510

50274-85-6

Structural Information

Molecular Formula

C₁₃H₉Cl₂NO

SMILES

C1=CC(=CC=C1C(=O)C2=C(C=C(C=C2)N)Cl)Cl

InChI

InChI=1S/C13H9Cl2NO/c14-9-3-1-8(2-4-9)13(17)11-6-5-10(16)7-12(11)15/h1-7H,16H2

InChIKey

WIXSUPUXSXRDEZ-UHFFFAOYSA-N

Compound name

(4-amino-2-chlorophenyl)-(4-chlorophenyl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 43
Patents: 265.00613 Da
Monoisotopic Mass: 3.8
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]+	266.013406	154.8
[M+Na]+	287.995348	165.0
[M-H]-	263.998854	160.9
[M+NH4]+	283.039953	172.4
[M+K]+	303.969288	158.2
[M+H-H2O]+	248.003390	149.5
[M+HCOO]-	310.004331	169.7
[M+CH3COO]-	324.019981	197.0
[M+Na-2H]-	285.980796	158.0
[M]+	265.00558142	156.7
[M]-	265.00667858	156.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe