CID 142938

2,4-dichlorophenethylamine

Structural Information

Molecular Formula
C8H9Cl2N
SMILES
C1=CC(=C(C=C1Cl)Cl)CCN
InChI
InChI=1S/C8H9Cl2N/c9-7-2-1-6(3-4-11)8(10)5-7/h1-2,5H,3-4,11H2
InChIKey
VHJKDOLGYMULOP-UHFFFAOYSA-N
Compound name
2-(2,4-dichlorophenyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

860
Patents

189.0112 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.01848 135.1
[M+Na]+ 212.00042 149.8
[M+NH4]+ 207.04502 145.1
[M+K]+ 227.97436 141.4
[M-H]- 188.00392 138.5
[M+Na-2H]- 209.98587 143.0
[M]+ 189.01065 138.8
[M]- 189.01175 138.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe