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]+ 201.06700 137.0
[M+Na]+ 223.04894 145.5
[M-H]- 199.05244 139.7
[M+NH4]+ 218.09354 155.4
[M+K]+ 239.02288 139.7
[M+H-H2O]+ 183.05698 134.9
[M+HCOO]- 245.05792 162.6
[M+CH3COO]- 259.07357 181.8
[M+Na-2H]- 221.03439 143.3
[M]+ 200.05917 135.1
[M]- 200.06027 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