CID 72767

7512-47-2

Structural Information

Molecular Formula

C₁₄H₁₃ClN₂O

SMILES

CN(C)C1=CC=C(C=C1)N=C2C=CC(=O)C(=C2)Cl

InChI

InChI=1S/C14H13ClN2O/c1-17(2)12-6-3-10(4-7-12)16-11-5-8-14(18)13(15)9-11/h3-9H,1-2H3

InChIKey

GFALCKJLTJCETA-UHFFFAOYSA-N

Compound name

2-chloro-4-[4-(dimethylamino)phenyl]iminocyclohexa-2,5-dien-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 260.07166 Da
Monoisotopic Mass: 2.8
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]+	261.078936	157.6
[M+Na]+	283.060878	166.2
[M-H]-	259.064384	167.2
[M+NH4]+	278.105483	176.2
[M+K]+	299.034818	162.2
[M+H-H2O]+	243.068920	150.3
[M+HCOO]-	305.069861	180.6
[M+CH3COO]-	319.085511	205.0
[M+Na-2H]-	281.046326	162.3
[M]+	260.07111142	160.3
[M]-	260.07220858	160.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.