CID 213802

Brn 1533516

Structural Information

Molecular Formula

C₁₂H₁₃Cl₃N₂

SMILES

CCN1CCCC1=NC2=CC(=C(C=C2Cl)Cl)Cl

InChI

InChI=1S/C12H13Cl3N2/c1-2-17-5-3-4-12(17)16-11-7-9(14)8(13)6-10(11)15/h6-7H,2-5H2,1H3

InChIKey

HWGFOJRXDASVGR-UHFFFAOYSA-N

Compound name

1-ethyl-N-(2,4,5-trichlorophenyl)pyrrolidin-2-imine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 290.01443 Da
Monoisotopic Mass: 3.9
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]+	291.02171	166.9
[M+Na]+	313.00365	176.6
[M-H]-	289.00715	171.2
[M+NH4]+	308.04825	184.7
[M+K]+	328.97759	169.7
[M+H-H2O]+	273.01169	160.4
[M+HCOO]-	335.01263	175.3
[M+CH3COO]-	349.02828	202.9
[M+Na-2H]-	310.98910	166.3
[M]+	290.01388	168.3
[M]-	290.01498	168.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe