CID 109674

68155-76-0

Structural Information

Molecular Formula

C₁₀H₁₅ClN₂

SMILES

CCN(CC)C1=C(C=C(C=C1)N)Cl

InChI

InChI=1S/C10H15ClN2/c1-3-13(4-2)10-6-5-8(12)7-9(10)11/h5-7H,3-4,12H2,1-2H3

InChIKey

JLPRWBZGPHCRIH-UHFFFAOYSA-N

Compound name

2-chloro-1-N,1-N-diethylbenzene-1,4-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 59
Patents: 198.09238 Da
Monoisotopic Mass: 2.7
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]+	199.09966	142.7
[M+Na]+	221.08160	155.4
[M+NH4]+	216.12620	152.1
[M+K]+	237.05554	148.1
[M-H]-	197.08510	146.8
[M+Na-2H]-	219.06705	150.0
[M]+	198.09183	145.9
[M]-	198.09293	145.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe