CID 44562613

1085313-99-0

Structural Information

Molecular Formula
C15H15ClFNO
SMILES
CC1=C(C=CC(=C1)OC2=C(C=CC(=C2)Cl)CNC)F
InChI
InChI=1S/C15H15ClFNO/c1-10-7-13(5-6-14(10)17)19-15-8-12(16)4-3-11(15)9-18-2/h3-8,18H,9H2,1-2H3
InChIKey
KUWISOBIRVPNDN-UHFFFAOYSA-N
Compound name
1-[4-chloro-2-(4-fluoro-3-methylphenoxy)phenyl]-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

279.0826 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.08988 160.8
[M+Na]+ 302.07182 170.7
[M-H]- 278.07532 166.7
[M+NH4]+ 297.11642 178.1
[M+K]+ 318.04576 164.8
[M+H-H2O]+ 262.07986 153.3
[M+HCOO]- 324.08080 180.4
[M+CH3COO]- 338.09645 202.9
[M+Na-2H]- 300.05727 164.6
[M]+ 279.08205 163.7
[M]- 279.08315 163.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.