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 148.5
[M+Na]+ 258.07009 157.7
[M-H]- 234.07359 152.8
[M+NH4]+ 253.11469 166.0
[M+K]+ 274.04403 153.2
[M+H-H2O]+ 218.07813 139.5
[M+HCOO]- 280.07907 171.7
[M+CH3COO]- 294.09472 194.1
[M+Na-2H]- 256.05554 153.1
[M]+ 235.08032 146.0
[M]- 235.08142 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.