CID 4095984

5-ethoxy-4-fluoro-2-nitroaniline

Structural Information

Molecular Formula
C8H9FN2O3
SMILES
CCOC1=C(C=C(C(=C1)N)[N+](=O)[O-])F
InChI
InChI=1S/C8H9FN2O3/c1-2-14-8-4-6(10)7(11(12)13)3-5(8)9/h3-4H,2,10H2,1H3
InChIKey
IXBTZWMWZZYTIT-UHFFFAOYSA-N
Compound name
5-ethoxy-4-fluoro-2-nitroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

113
Patents

200.05972 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.06700 135.9
[M+Na]+ 223.04894 147.7
[M+NH4]+ 218.09354 143.0
[M+K]+ 239.02288 145.3
[M-H]- 199.05244 137.8
[M+Na-2H]- 221.03439 141.1
[M]+ 200.05917 137.7
[M]- 200.06027 137.7
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