CID 219620

5-fluoro-4-methoxy-2-nitroaniline

Structural Information

Molecular Formula
C7H7FN2O3
SMILES
COC1=C(C=C(C(=C1)[N+](=O)[O-])N)F
InChI
InChI=1S/C7H7FN2O3/c1-13-7-3-6(10(11)12)5(9)2-4(7)8/h2-3H,9H2,1H3
InChIKey
RVAJIOQIKOUNON-UHFFFAOYSA-N
Compound name
5-fluoro-4-methoxy-2-nitroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

186.04407 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.05135 131.3
[M+Na]+ 209.03329 143.3
[M+NH4]+ 204.07789 138.6
[M+K]+ 225.00723 141.2
[M-H]- 185.03679 133.3
[M+Na-2H]- 207.01874 136.8
[M]+ 186.04352 133.2
[M]- 186.04462 133.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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