CID 20115396

1171709-18-4

Structural Information

Molecular Formula
C13H12FNO
SMILES
C1=CC(=CC(=C1)N)COC2=CC(=CC=C2)F
InChI
InChI=1S/C13H12FNO/c14-11-4-2-6-13(8-11)16-9-10-3-1-5-12(15)7-10/h1-8H,9,15H2
InChIKey
WXEKQNRKZZUIOG-UHFFFAOYSA-N
Compound name
3-[(3-fluorophenoxy)methyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.09029 Da
Monoisotopic Mass

2.8
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.