CID 3052537

68968-07-0

Structural Information

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

2D Structure

compound 2d structure
1
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]+ 266.049776 157.5
[M+Na]+ 288.031718 166.1
[M-H]- 264.035224 162.9
[M+NH4]+ 283.076323 174.9
[M+K]+ 304.005658 159.0
[M+H-H2O]+ 248.039760 151.8
[M+HCOO]- 310.040701 171.6
[M+CH3COO]- 324.056351 169.3
[M+Na-2H]- 286.017166 160.9
[M]+ 265.04195142 158.6
[M]- 265.04304858 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.