CID 2758170

42266-17-1

Structural Information

Molecular Formula

C₉H₁₁Cl₂N

SMILES

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

InChI

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

InChIKey

LUPDEXKZPAZZDA-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 69
Patents: 203.02686 Da
Monoisotopic Mass: 4.0
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	140.4
[M+Na]+	226.01608	149.7
[M-H]-	202.01958	143.6
[M+NH4]+	221.06068	161.0
[M+K]+	241.99002	144.6
[M+H-H2O]+	186.02412	136.7
[M+HCOO]-	248.02506	155.3
[M+CH3COO]-	262.04071	187.8
[M+Na-2H]-	224.00153	144.9
[M]+	203.02631	142.7
[M]-	203.02741	142.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe