CID 19576907

864263-03-6

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
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 147.3
[M+Na]+ 240.07951 161.2
[M+NH4]+ 235.12411 156.1
[M+K]+ 256.05345 153.2
[M-H]- 216.08301 151.5
[M+Na-2H]- 238.06496 156.8
[M]+ 217.08974 150.5
[M]- 217.09084 150.5
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

patents stripe