CID 67387800

5-fluoro-2-nitropyridin-3-ol

Structural Information

Molecular Formula
C5H3FN2O3
SMILES
C1=C(C=NC(=C1O)[N+](=O)[O-])F
InChI
InChI=1S/C5H3FN2O3/c6-3-1-4(9)5(7-2-3)8(10)11/h1-2,9H
InChIKey
XCYLKKXQKCXJAE-UHFFFAOYSA-N
Compound name
5-fluoro-2-nitropyridin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

63
Patents

158.01277 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.020046 123.3
[M+Na]+ 181.001988 132.7
[M-H]- 157.005494 124.0
[M+NH4]+ 176.046593 141.7
[M+K]+ 196.975928 127.0
[M+H-H2O]+ 141.010030 121.3
[M+HCOO]- 203.010971 146.8
[M+CH3COO]- 217.026621 167.3
[M+Na-2H]- 178.987436 132.4
[M]+ 158.01222142 120.3
[M]- 158.01331858 120.3
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