CID 124158802

2-(4-fluoro-3-nitrophenoxy)acetonitrile

Structural Information

Molecular Formula
C8H5FN2O3
SMILES
C1=CC(=C(C=C1OCC#N)[N+](=O)[O-])F
InChI
InChI=1S/C8H5FN2O3/c9-7-2-1-6(14-4-3-10)5-8(7)11(12)13/h1-2,5H,4H2
InChIKey
LANRVXSNWJKHIO-UHFFFAOYSA-N
Compound name
2-(4-fluoro-3-nitrophenoxy)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

196.02843 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.035706 139.3
[M+Na]+ 219.017648 149.4
[M-H]- 195.021154 141.6
[M+NH4]+ 214.062253 156.0
[M+K]+ 234.991588 143.7
[M+H-H2O]+ 179.025690 130.4
[M+HCOO]- 241.026631 160.6
[M+CH3COO]- 255.042281 190.5
[M+Na-2H]- 217.003096 146.0
[M]+ 196.02788142 133.6
[M]- 196.02897858 133.6
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

patents stripe