CID 10910315

1-(2,6-dichlorophenyl)ethan-1-amine

Structural Information

Molecular Formula
C8H9Cl2N
SMILES
CC(C1=C(C=CC=C1Cl)Cl)N
InChI
InChI=1S/C8H9Cl2N/c1-5(11)8-6(9)3-2-4-7(8)10/h2-5H,11H2,1H3
InChIKey
NRWOZHOHRZOVDA-UHFFFAOYSA-N
Compound name
1-(2,6-dichlorophenyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

189.0112 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.01848 136.3
[M+Na]+ 212.00042 146.0
[M-H]- 188.00392 139.2
[M+NH4]+ 207.04502 157.1
[M+K]+ 227.97436 140.8
[M+H-H2O]+ 172.00846 132.8
[M+HCOO]- 234.00940 150.9
[M+CH3COO]- 248.02505 184.2
[M+Na-2H]- 209.98587 140.3
[M]+ 189.01065 137.2
[M]- 189.01175 137.2
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