CID 18519634

4-amino-5-fluoro-2-methoxybenzonitrile

Structural Information

Molecular Formula
C8H7FN2O
SMILES
COC1=CC(=C(C=C1C#N)F)N
InChI
InChI=1S/C8H7FN2O/c1-12-8-3-7(11)6(9)2-5(8)4-10/h2-3H,11H2,1H3
InChIKey
NTDRONIICFXXIB-UHFFFAOYSA-N
Compound name
4-amino-5-fluoro-2-methoxybenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

166.05424 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.06152 134.1
[M+Na]+ 189.04346 145.7
[M+NH4]+ 184.08806 138.5
[M+K]+ 205.01740 136.7
[M-H]- 165.04696 127.9
[M+Na-2H]- 187.02891 137.6
[M]+ 166.05369 133.1
[M]- 166.05479 133.1
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