CID 43122345

(5-fluoro-2-methoxyphenyl)(3-methoxyphenyl)methanamine

Structural Information

Molecular Formula
C15H16FNO2
SMILES
COC1=C(C=C(C=C1)F)C(C2=CC(=CC=C2)OC)N
InChI
InChI=1S/C15H16FNO2/c1-18-12-5-3-4-10(8-12)15(17)13-9-11(16)6-7-14(13)19-2/h3-9,15H,17H2,1-2H3
InChIKey
NNHAEUSIHKMPTF-UHFFFAOYSA-N
Compound name
(5-fluoro-2-methoxyphenyl)-(3-methoxyphenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.11652 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.123796 158.6
[M+Na]+ 284.105738 166.4
[M-H]- 260.109244 163.9
[M+NH4]+ 279.150343 175.0
[M+K]+ 300.079678 163.1
[M+H-H2O]+ 244.113780 150.0
[M+HCOO]- 306.114721 181.4
[M+CH3COO]- 320.130371 200.4
[M+Na-2H]- 282.091186 161.4
[M]+ 261.11597142 158.6
[M]- 261.11706858 158.6
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.