CID 3018939

84540-51-2

Structural Information

Molecular Formula

C₉H₉Cl₂NO

SMILES

CC(=NC1=C(C=CC(=C1Cl)O)Cl)C

InChI

InChI=1S/C9H9Cl2NO/c1-5(2)12-9-6(10)3-4-7(13)8(9)11/h3-4,13H,1-2H3

InChIKey

JJMJCJRISFLLDK-UHFFFAOYSA-N

Compound name

2,4-dichloro-3-(propan-2-ylideneamino)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 217.00612 Da
Monoisotopic Mass: 2.7
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]+	218.013396	141.8
[M+Na]+	239.995338	152.4
[M-H]-	215.998844	145.6
[M+NH4]+	235.039943	162.1
[M+K]+	255.969278	147.3
[M+H-H2O]+	200.003380	138.4
[M+HCOO]-	262.004321	157.2
[M+CH3COO]-	276.019971	189.4
[M+Na-2H]-	237.980786	145.7
[M]+	217.00557142	145.2
[M]-	217.00666858	145.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe