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

115
Patents

200.05972 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.066996 137.0
[M+Na]+ 223.048938 145.5
[M-H]- 199.052444 139.7
[M+NH4]+ 218.093543 155.4
[M+K]+ 239.022878 139.7
[M+H-H2O]+ 183.056980 134.9
[M+HCOO]- 245.057921 162.6
[M+CH3COO]- 259.073571 181.8
[M+Na-2H]- 221.034386 143.3
[M]+ 200.05917142 135.1
[M]- 200.06026858 135.1
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