CID 5181757

61176-08-7

Structural Information

Molecular Formula

C₁₁H₁₃Cl₂NO

SMILES

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

InChI

InChI=1S/C11H13Cl2NO/c1-11(2,3)14-10(15)8-5-4-7(12)6-9(8)13/h4-6H,1-3H3,(H,14,15)

InChIKey

OFYMPLOWRZYCTN-UHFFFAOYSA-N

Compound name

N-tert-butyl-2,4-dichlorobenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 245.03741 Da
Monoisotopic Mass: 3.6
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]+	246.04469	151.8
[M+Na]+	268.02663	161.2
[M-H]-	244.03013	155.4
[M+NH4]+	263.07123	170.9
[M+K]+	284.00057	156.0
[M+H-H2O]+	228.03467	148.2
[M+HCOO]-	290.03561	165.0
[M+CH3COO]-	304.05126	193.8
[M+Na-2H]-	266.01208	156.0
[M]+	245.03686	155.1
[M]-	245.03796	155.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe