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

5
Patents

196.02843 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.03571 139.3
[M+Na]+ 219.01765 149.4
[M-H]- 195.02115 141.6
[M+NH4]+ 214.06225 156.0
[M+K]+ 234.99159 143.7
[M+H-H2O]+ 179.02569 130.4
[M+HCOO]- 241.02663 160.6
[M+CH3COO]- 255.04228 190.5
[M+Na-2H]- 217.00310 146.0
[M]+ 196.02788 133.6
[M]- 196.02898 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