CID 139020329

2344677-78-5

Structural Information

Molecular Formula
C14H13ClFNO
SMILES
C1=CC=C(C=C1)OCC(C2=CC(=C(C=C2)F)Cl)N
InChI
InChI=1S/C14H13ClFNO/c15-12-8-10(6-7-13(12)16)14(17)9-18-11-4-2-1-3-5-11/h1-8,14H,9,17H2
InChIKey
NTBBTPPTWIXQEA-UHFFFAOYSA-N
Compound name
1-(3-chloro-4-fluorophenyl)-2-phenoxyethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.06696 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.07424 156.8
[M+Na]+ 288.05618 170.8
[M+NH4]+ 283.10078 165.5
[M+K]+ 304.03012 162.6
[M-H]- 264.05968 160.7
[M+Na-2H]- 286.04163 165.7
[M]+ 265.06641 160.2
[M]- 265.06751 160.2
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.