CID 14451968

2-fluoro-5-nitroanisole

Structural Information

Molecular Formula
C7H6FNO3
SMILES
COC1=C(C=CC(=C1)[N+](=O)[O-])F
InChI
InChI=1S/C7H6FNO3/c1-12-7-4-5(9(10)11)2-3-6(7)8/h2-4H,1H3
InChIKey
AZNKKZHZGDZSIF-UHFFFAOYSA-N
Compound name
1-fluoro-2-methoxy-4-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

731
Patents

171.03317 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.04045 128.2
[M+Na]+ 194.02239 141.5
[M+NH4]+ 189.06699 136.2
[M+K]+ 209.99633 138.4
[M-H]- 170.02589 130.2
[M+Na-2H]- 192.00784 134.8
[M]+ 171.03262 130.5
[M]- 171.03372 130.5
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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