CID 9861124

289716-94-5

Structural Information

Molecular Formula
C14H12Cl2FNO
SMILES
CNCC1=C(C=CC(=C1)F)OC2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C14H12Cl2FNO/c1-18-8-9-6-10(17)2-5-14(9)19-11-3-4-12(15)13(16)7-11/h2-7,18H,8H2,1H3
InChIKey
FQEBOQLYHASAOY-UHFFFAOYSA-N
Compound name
1-[2-(3,4-dichlorophenoxy)-5-fluorophenyl]-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

75
Patents

299.02798 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.03526 162.0
[M+Na]+ 322.01720 172.7
[M-H]- 298.02070 167.2
[M+NH4]+ 317.06180 178.9
[M+K]+ 337.99114 165.8
[M+H-H2O]+ 282.02524 155.4
[M+HCOO]- 344.02618 176.9
[M+CH3COO]- 358.04183 204.2
[M+Na-2H]- 320.00265 165.6
[M]+ 299.02743 165.9
[M]- 299.02853 165.9
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.