CID 155943744

6-ethoxy-2-fluoro-3-nitrobenzonitrile

Structural Information

Molecular Formula
C9H7FN2O3
SMILES
CCOC1=C(C(=C(C=C1)[N+](=O)[O-])F)C#N
InChI
InChI=1S/C9H7FN2O3/c1-2-15-8-4-3-7(12(13)14)9(10)6(8)5-11/h3-4H,2H2,1H3
InChIKey
VZNITMKKICEMGN-UHFFFAOYSA-N
Compound name
6-ethoxy-2-fluoro-3-nitrobenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.04407 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.05135 143.0
[M+Na]+ 233.03329 153.5
[M-H]- 209.03679 145.5
[M+NH4]+ 228.07789 159.5
[M+K]+ 249.00723 147.6
[M+H-H2O]+ 193.04133 134.1
[M+HCOO]- 255.04227 164.0
[M+CH3COO]- 269.05792 194.2
[M+Na-2H]- 231.01874 148.6
[M]+ 210.04352 137.9
[M]- 210.04462 137.9
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.