CID 729232

299438-96-3

Structural Information

Molecular Formula

C₁₁H₁₂Cl₂N₂

SMILES

CC1=C(C2=C(C=CC(=C2N1)Cl)Cl)CCN

InChI

InChI=1S/C11H12Cl2N2/c1-6-7(4-5-14)10-8(12)2-3-9(13)11(10)15-6/h2-3,15H,4-5,14H2,1H3

InChIKey

HTUUKBBIGLELJY-UHFFFAOYSA-N

Compound name

2-(4,7-dichloro-2-methyl-1H-indol-3-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 242.03775 Da
Monoisotopic Mass: 3.0
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]+	243.045026	151.9
[M+Na]+	265.026968	164.4
[M-H]-	241.030474	153.5
[M+NH4]+	260.071573	172.1
[M+K]+	281.000908	156.5
[M+H-H2O]+	225.035010	147.4
[M+HCOO]-	287.035951	165.5
[M+CH3COO]-	301.051601	164.6
[M+Na-2H]-	263.012416	155.1
[M]+	242.03720142	154.9
[M]-	242.03829858	154.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe