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]+ 236.088146 148.5
[M+Na]+ 258.070088 157.7
[M-H]- 234.073594 152.8
[M+NH4]+ 253.114693 166.0
[M+K]+ 274.044028 153.2
[M+H-H2O]+ 218.078130 139.5
[M+HCOO]- 280.079071 171.7
[M+CH3COO]- 294.094721 194.1
[M+Na-2H]- 256.055536 153.1
[M]+ 235.08032142 146.0
[M]- 235.08141858 146.0
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.