CID 139017430

2344681-29-2

Structural Information

Molecular Formula
C14H13ClFNO
SMILES
C1=CC=C(C=C1)OCC(C2=CC(=C(C=C2)Cl)F)N
InChI
InChI=1S/C14H13ClFNO/c15-12-7-6-10(8-13(12)16)14(17)9-18-11-4-2-1-3-5-11/h1-8,14H,9,17H2
InChIKey
SDTWIODPFNNOCV-UHFFFAOYSA-N
Compound name
1-(4-chloro-3-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 156.9
[M+Na]+ 288.05618 165.1
[M-H]- 264.05968 161.7
[M+NH4]+ 283.10078 173.7
[M+K]+ 304.03012 159.4
[M+H-H2O]+ 248.06422 149.3
[M+HCOO]- 310.06516 175.3
[M+CH3COO]- 324.08081 197.8
[M+Na-2H]- 286.04163 160.5
[M]+ 265.06641 157.1
[M]- 265.06751 157.1
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.