CID 3860377

[4-(4-fluorophenoxy)phenyl]methanamine

Structural Information

Molecular Formula
C13H12FNO
SMILES
C1=CC(=CC=C1CN)OC2=CC=C(C=C2)F
InChI
InChI=1S/C13H12FNO/c14-11-3-7-13(8-4-11)16-12-5-1-10(9-15)2-6-12/h1-8H,9,15H2
InChIKey
ZQTJTARQSZTPGD-UHFFFAOYSA-N
Compound name
[4-(4-fluorophenoxy)phenyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

85
Patents

217.09029 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.09757 145.5
[M+Na]+ 240.07951 153.7
[M-H]- 216.08301 150.8
[M+NH4]+ 235.12411 163.6
[M+K]+ 256.05345 149.7
[M+H-H2O]+ 200.08755 137.4
[M+HCOO]- 262.08849 169.9
[M+CH3COO]- 276.10414 190.2
[M+Na-2H]- 238.06496 151.5
[M]+ 217.08974 143.7
[M]- 217.09084 143.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe