CID 43144902

1-[3-fluoro-4-(pyridin-3-yloxy)phenyl]ethan-1-amine

Structural Information

Molecular Formula
C13H13FN2O
SMILES
CC(C1=CC(=C(C=C1)OC2=CN=CC=C2)F)N
InChI
InChI=1S/C13H13FN2O/c1-9(15)10-4-5-13(12(14)7-10)17-11-3-2-6-16-8-11/h2-9H,15H2,1H3
InChIKey
GQWYXJPIQLHVQO-UHFFFAOYSA-N
Compound name
1-(3-fluoro-4-pyridin-3-yloxyphenyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.1012 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.10848 150.6
[M+Na]+ 255.09042 158.4
[M-H]- 231.09392 154.4
[M+NH4]+ 250.13502 166.5
[M+K]+ 271.06436 154.6
[M+H-H2O]+ 215.09846 141.5
[M+HCOO]- 277.09940 172.5
[M+CH3COO]- 291.11505 193.7
[M+Na-2H]- 253.07587 155.4
[M]+ 232.10065 148.6
[M]- 232.10175 148.6
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.