CID 40427890

3-fluoro-5-methoxyaniline

Structural Information

Molecular Formula
C7H8FNO
SMILES
COC1=CC(=CC(=C1)N)F
InChI
InChI=1S/C7H8FNO/c1-10-7-3-5(8)2-6(9)4-7/h2-4H,9H2,1H3
InChIKey
BHWSRJOKTBUWBN-UHFFFAOYSA-N
Compound name
3-fluoro-5-methoxyaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

317
Patents

141.05899 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.06627 125.4
[M+Na]+ 164.04821 137.5
[M+NH4]+ 159.09281 133.9
[M+K]+ 180.02215 131.5
[M-H]- 140.05171 127.0
[M+Na-2H]- 162.03366 132.3
[M]+ 141.05844 127.4
[M]- 141.05954 127.4
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