CID 28966097

[3-fluoro-4-(2-fluorophenoxy)phenyl]methanamine

Structural Information

Molecular Formula
C13H11F2NO
SMILES
C1=CC=C(C(=C1)OC2=C(C=C(C=C2)CN)F)F
InChI
InChI=1S/C13H11F2NO/c14-10-3-1-2-4-12(10)17-13-6-5-9(8-16)7-11(13)15/h1-7H,8,16H2
InChIKey
GQQCRHROXAIZEI-UHFFFAOYSA-N
Compound name
[3-fluoro-4-(2-fluorophenoxy)phenyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.08087 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.08815 151.5
[M+Na]+ 258.07009 164.3
[M+NH4]+ 253.11469 159.1
[M+K]+ 274.04403 156.7
[M-H]- 234.07359 153.9
[M+Na-2H]- 256.05554 159.5
[M]+ 235.08032 153.9
[M]- 235.08142 153.9
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.