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

73
Patents

158.01277 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.02005 123.3
[M+Na]+ 181.00199 132.7
[M-H]- 157.00549 124.0
[M+NH4]+ 176.04659 141.7
[M+K]+ 196.97593 127.0
[M+H-H2O]+ 141.01003 121.3
[M+HCOO]- 203.01097 146.8
[M+CH3COO]- 217.02662 167.3
[M+Na-2H]- 178.98744 132.4
[M]+ 158.01222 120.3
[M]- 158.01332 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