CID 9937

5-fluoro-2-nitrophenol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1890
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 123.9
[M+Na]+ 180.00674 132.9
[M-H]- 156.01024 125.9
[M+NH4]+ 175.05134 143.7
[M+K]+ 195.98068 127.2
[M+H-H2O]+ 140.01478 122.8
[M+HCOO]- 202.01572 148.4
[M+CH3COO]- 216.03137 167.7
[M+Na-2H]- 177.99219 132.2
[M]+ 157.01697 120.9
[M]- 157.01807 120.9
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