CID 739323

2-(5,7-dichloro-1h-indol-3-yl)ethan-1-amine

Structural Information

Molecular Formula
C10H10Cl2N2
SMILES
C1=C(C=C(C2=C1C(=CN2)CCN)Cl)Cl
InChI
InChI=1S/C10H10Cl2N2/c11-7-3-8-6(1-2-13)5-14-10(8)9(12)4-7/h3-5,14H,1-2,13H2
InChIKey
MOPMGVMKLSZZPB-UHFFFAOYSA-N
Compound name
2-(5,7-dichloro-1H-indol-3-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

228.02211 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.02939 147.0
[M+Na]+ 251.01133 159.0
[M-H]- 227.01483 148.3
[M+NH4]+ 246.05593 167.4
[M+K]+ 266.98527 151.3
[M+H-H2O]+ 211.01937 142.3
[M+HCOO]- 273.02031 160.9
[M+CH3COO]- 287.03596 159.8
[M+Na-2H]- 248.99678 151.5
[M]+ 228.02156 149.2
[M]- 228.02266 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