CID 57429072

4-fluoro-2-methoxy-5-nitroaniline

Structural Information

Molecular Formula
C7H7FN2O3
SMILES
COC1=CC(=C(C=C1N)[N+](=O)[O-])F
InChI
InChI=1S/C7H7FN2O3/c1-13-7-2-4(8)6(10(11)12)3-5(7)9/h2-3H,9H2,1H3
InChIKey
FYSIGSQCZXQTIH-UHFFFAOYSA-N
Compound name
4-fluoro-2-methoxy-5-nitroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

964
Patents

186.04407 Da
Monoisotopic Mass

1.1
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

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Patent stripe

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