CID 23498100

2-fluoro-5-nitrophenol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

427
Patents

157.01752 Da
Monoisotopic Mass

2.1
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

No literature data available for this compound.

Patent stripe

patents stripe