CID 16751861

4-fluoro-3-nitrophenol

Structural Information

Molecular Formula
C6H4FNO3
SMILES
C1=CC(=C(C=C1O)[N+](=O)[O-])F
InChI
InChI=1S/C6H4FNO3/c7-5-2-1-4(9)3-6(5)8(10)11/h1-3,9H
InChIKey
JSRMPTJZAJUPGZ-UHFFFAOYSA-N
Compound name
4-fluoro-3-nitrophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

352
Patents

157.01752 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.02480 123.7
[M+Na]+ 180.00674 136.6
[M+NH4]+ 175.05134 131.5
[M+K]+ 195.98068 134.1
[M-H]- 156.01024 125.2
[M+Na-2H]- 177.99219 129.9
[M]+ 157.01697 125.7
[M]- 157.01807 125.7
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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