CID 13803017

3,4-dichloro-n-(propan-2-yl)aniline

Structural Information

Molecular Formula

C₉H₁₁Cl₂N

SMILES

CC(C)NC1=CC(=C(C=C1)Cl)Cl

InChI

InChI=1S/C9H11Cl2N/c1-6(2)12-7-3-4-8(10)9(11)5-7/h3-6,12H,1-2H3

InChIKey

APRDBMFEPXNCSK-UHFFFAOYSA-N

Compound name

3,4-dichloro-N-propan-2-ylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 48
Patents: 203.02686 Da
Monoisotopic Mass: 4.2
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]+	204.03414	140.2
[M+Na]+	226.01608	154.6
[M+NH4]+	221.06068	150.1
[M+K]+	241.99002	146.5
[M-H]-	202.01958	143.5
[M+Na-2H]-	224.00153	147.9
[M]+	203.02631	143.9
[M]-	203.02741	143.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe