CID 136236

4-fluoro-2-nitrophenol

Structural Information

Molecular Formula
C6H4FNO3
SMILES
C1=CC(=C(C=C1F)[N+](=O)[O-])O
InChI
InChI=1S/C6H4FNO3/c7-4-1-2-6(9)5(3-4)8(10)11/h1-3,9H
InChIKey
ZHRLVDHMIJDWSS-UHFFFAOYSA-N
Compound name
4-fluoro-2-nitrophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

459
Patents

157.01752 Da
Monoisotopic Mass

1.9
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

literature stripe

Patent stripe

patents stripe