CID 139381

2-(3-chlorophenyl)ethylamine

Structural Information

Molecular Formula
C8H10ClN
SMILES
C1=CC(=CC(=C1)Cl)CCN
InChI
InChI=1S/C8H10ClN/c9-8-3-1-2-7(6-8)4-5-10/h1-3,6H,4-5,10H2
InChIKey
NRHVNPYOTNGECT-UHFFFAOYSA-N
Compound name
2-(3-chlorophenyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

1661
Patents

155.05017 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.05745 130.1
[M+Na]+ 178.03939 138.9
[M-H]- 154.04289 133.3
[M+NH4]+ 173.08399 151.8
[M+K]+ 194.01333 134.7
[M+H-H2O]+ 138.04743 125.6
[M+HCOO]- 200.04837 150.8
[M+CH3COO]- 214.06402 177.4
[M+Na-2H]- 176.02484 136.9
[M]+ 155.04962 130.2
[M]- 155.05072 130.2
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