CID 50989609

2-(2,4-dichlorophenyl)-1-(4-fluorophenyl)ethan-1-amine

Structural Information

Molecular Formula
C14H12Cl2FN
SMILES
C1=CC(=CC=C1C(CC2=C(C=C(C=C2)Cl)Cl)N)F
InChI
InChI=1S/C14H12Cl2FN/c15-11-4-1-10(13(16)8-11)7-14(18)9-2-5-12(17)6-3-9/h1-6,8,14H,7,18H2
InChIKey
HGFULFVZTZODTI-UHFFFAOYSA-N
Compound name
2-(2,4-dichlorophenyl)-1-(4-fluorophenyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.03308 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.04036 159.4
[M+Na]+ 306.02230 169.0
[M-H]- 282.02580 163.7
[M+NH4]+ 301.06690 176.3
[M+K]+ 321.99624 161.5
[M+H-H2O]+ 266.03034 153.0
[M+HCOO]- 328.03128 172.5
[M+CH3COO]- 342.04693 201.3
[M+Na-2H]- 304.00775 161.5
[M]+ 283.03253 160.0
[M]- 283.03363 160.0
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

No patent data available for this compound.