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]+ 262.12380 158.6
[M+Na]+ 284.10574 166.4
[M-H]- 260.10924 163.9
[M+NH4]+ 279.15034 175.0
[M+K]+ 300.07968 163.1
[M+H-H2O]+ 244.11378 150.0
[M+HCOO]- 306.11472 181.4
[M+CH3COO]- 320.13037 200.4
[M+Na-2H]- 282.09119 161.4
[M]+ 261.11597 158.6
[M]- 261.11707 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.