CID 45042

63887-29-6

Structural Information

Molecular Formula

C₁₀H₁₂Cl₂N₂O

SMILES

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

InChI

InChI=1S/C10H12Cl2N2O/c1-5(2)14-10(15)6-3-7(11)9(13)8(12)4-6/h3-5H,13H2,1-2H3,(H,14,15)

InChIKey

HIBIEKXBXDTLQI-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 246.03267 Da
Monoisotopic Mass: 2.6
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]+	247.03995	152.6
[M+Na]+	269.02189	161.6
[M-H]-	245.02539	155.7
[M+NH4]+	264.06649	171.0
[M+K]+	284.99583	156.4
[M+H-H2O]+	229.02993	148.7
[M+HCOO]-	291.03087	167.1
[M+CH3COO]-	305.04652	197.6
[M+Na-2H]-	267.00734	153.7
[M]+	246.03212	154.1
[M]-	246.03322	154.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe