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 131.3
[M+Na]+ 189.04346 142.7
[M-H]- 165.04696 133.7
[M+NH4]+ 184.08806 149.9
[M+K]+ 205.01740 140.1
[M+H-H2O]+ 149.05150 118.7
[M+HCOO]- 211.05244 152.1
[M+CH3COO]- 225.06809 194.1
[M+Na-2H]- 187.02891 136.2
[M]+ 166.05369 125.4
[M]- 166.05479 125.4
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