CID 20270690

1-(3,5-dichlorophenyl)-2-phenylethan-1-amine hydrochloride

Structural Information

Molecular Formula
C14H13Cl2N
SMILES
C1=CC=C(C=C1)CC(C2=CC(=CC(=C2)Cl)Cl)N
InChI
InChI=1S/C14H13Cl2N/c15-12-7-11(8-13(16)9-12)14(17)6-10-4-2-1-3-5-10/h1-5,7-9,14H,6,17H2
InChIKey
VVJATHWMCGHNDW-UHFFFAOYSA-N
Compound name
1-(3,5-dichlorophenyl)-2-phenylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

265.0425 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.04978 158.2
[M+Na]+ 288.03172 174.4
[M+NH4]+ 283.07632 168.4
[M+K]+ 304.00566 164.7
[M-H]- 264.03522 164.1
[M+Na-2H]- 286.01717 168.2
[M]+ 265.04195 163.0
[M]- 265.04305 163.0
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