CID 3052529

1,2-bis(4-chlorophenyl)ethan-1-amine hydrochloride

Structural Information

Molecular Formula
C14H13Cl2N
SMILES
C1=CC(=CC=C1CC(C2=CC=C(C=C2)Cl)N)Cl
InChI
InChI=1S/C14H13Cl2N/c15-12-5-1-10(2-6-12)9-14(17)11-3-7-13(16)8-4-11/h1-8,14H,9,17H2
InChIKey
CNGJATYAZKMMIN-UHFFFAOYSA-N
Compound name
1,2-bis(4-chlorophenyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
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 157.5
[M+Na]+ 288.03172 166.1
[M-H]- 264.03522 162.9
[M+NH4]+ 283.07632 174.9
[M+K]+ 304.00566 159.0
[M+H-H2O]+ 248.03976 151.8
[M+HCOO]- 310.04070 171.6
[M+CH3COO]- 324.05635 169.3
[M+Na-2H]- 286.01717 160.9
[M]+ 265.04195 158.6
[M]- 265.04305 158.6
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

No patent data available for this compound.