CID 3061911

2-(ethylimino-(2-chlorophenyl)methyl)-4-chlorophenol

Structural Information

Molecular Formula

C₁₅H₁₃Cl₂NO

SMILES

CCN=C(C1=CC=CC=C1Cl)C2=C(C=CC(=C2)Cl)O

InChI

InChI=1S/C15H13Cl2NO/c1-2-18-15(11-5-3-4-6-13(11)17)12-9-10(16)7-8-14(12)19/h3-9,19H,2H2,1H3

InChIKey

GADDDQQHVSMAOC-UHFFFAOYSA-N

Compound name

4-chloro-2-[C-(2-chlorophenyl)-N-ethylcarbonimidoyl]phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 293.0374 Da
Monoisotopic Mass: 4.6
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]+	294.044676	163.7
[M+Na]+	316.026618	173.1
[M-H]-	292.030124	169.9
[M+NH4]+	311.071223	180.5
[M+K]+	332.000558	166.2
[M+H-H2O]+	276.034660	157.9
[M+HCOO]-	338.035601	178.5
[M+CH3COO]-	352.051251	202.8
[M+Na-2H]-	314.012066	166.9
[M]+	293.03685142	167.2
[M]-	293.03794858	167.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.