CID 4714948

2-(4,6-dichloro-1h-indol-3-yl)ethan-1-amine hydrochloride

Structural Information

Molecular Formula
C10H10Cl2N2
SMILES
C1=C(C=C(C2=C1NC=C2CCN)Cl)Cl
InChI
InChI=1S/C10H10Cl2N2/c11-7-3-8(12)10-6(1-2-13)5-14-9(10)4-7/h3-5,14H,1-2,13H2
InChIKey
LEOIVPVKEVLVGP-UHFFFAOYSA-N
Compound name
2-(4,6-dichloro-1H-indol-3-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

228.02211 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.029386 147.0
[M+Na]+ 251.011328 159.0
[M-H]- 227.014834 148.3
[M+NH4]+ 246.055933 167.4
[M+K]+ 266.985268 151.3
[M+H-H2O]+ 211.019370 142.3
[M+HCOO]- 273.020311 160.9
[M+CH3COO]- 287.035961 159.8
[M+Na-2H]- 248.996776 151.5
[M]+ 228.02156142 149.2
[M]- 228.02265858 149.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe