CID 4271623

3,5-dichloro-n-ethylbenzamide

Structural Information

Molecular Formula

C₉H₉Cl₂NO

SMILES

CCNC(=O)C1=CC(=CC(=C1)Cl)Cl

InChI

InChI=1S/C9H9Cl2NO/c1-2-12-9(13)6-3-7(10)5-8(11)4-6/h3-5H,2H2,1H3,(H,12,13)

InChIKey

ZVJJAWHZUKVECT-UHFFFAOYSA-N

Compound name

3,5-dichloro-N-ethylbenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 217.00612 Da
Monoisotopic Mass: 3.4
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]+	218.01340	142.4
[M+Na]+	239.99534	152.0
[M-H]-	215.99884	145.7
[M+NH4]+	235.03994	162.3
[M+K]+	255.96928	146.9
[M+H-H2O]+	200.00338	138.6
[M+HCOO]-	262.00432	157.7
[M+CH3COO]-	276.01997	188.2
[M+Na-2H]-	237.98079	146.9
[M]+	217.00557	145.4
[M]-	217.00667	145.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe