CID 20115835

2-(2-amino-5-fluorophenoxy)acetonitrile

Structural Information

Molecular Formula
C8H7FN2O
SMILES
C1=CC(=C(C=C1F)OCC#N)N
InChI
InChI=1S/C8H7FN2O/c9-6-1-2-7(11)8(5-6)12-4-3-10/h1-2,5H,4,11H2
InChIKey
JAFRWBLIAIXVOD-UHFFFAOYSA-N
Compound name
2-(2-amino-5-fluorophenoxy)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.05424 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.06152 131.5
[M+Na]+ 189.04346 142.0
[M-H]- 165.04696 133.5
[M+NH4]+ 184.08806 149.7
[M+K]+ 205.01740 139.4
[M+H-H2O]+ 149.05150 118.6
[M+HCOO]- 211.05244 152.2
[M+CH3COO]- 225.06809 193.0
[M+Na-2H]- 187.02891 137.0
[M]+ 166.05369 125.3
[M]- 166.05479 125.3
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.