CID 118421

33244-95-0

Structural Information

Molecular Formula

C₁₀H₁₁Cl₂NO

SMILES

CC(C)NC(=O)C1=CC(=CC(=C1)Cl)Cl

InChI

InChI=1S/C10H11Cl2NO/c1-6(2)13-10(14)7-3-8(11)5-9(12)4-7/h3-6H,1-2H3,(H,13,14)

InChIKey

GCONZZRJEPSMAO-UHFFFAOYSA-N

Compound name

3,5-dichloro-N-propan-2-ylbenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 231.02177 Da
Monoisotopic Mass: 3.3
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]+	232.02905	146.5
[M+Na]+	254.01099	155.6
[M-H]-	230.01449	149.9
[M+NH4]+	249.05559	165.9
[M+K]+	269.98493	150.7
[M+H-H2O]+	214.01903	142.7
[M+HCOO]-	276.01997	160.7
[M+CH3COO]-	290.03562	192.1
[M+Na-2H]-	251.99644	149.4
[M]+	231.02122	149.4
[M]-	231.02232	149.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe