CID 12275767

2,4-difluoro-5-nitropyridine

Structural Information

Molecular Formula
C5H2F2N2O2
SMILES
C1=C(C(=CN=C1F)[N+](=O)[O-])F
InChI
InChI=1S/C5H2F2N2O2/c6-3-1-5(7)8-2-4(3)9(10)11/h1-2H
InChIKey
OLPMWQXRTRVQRS-UHFFFAOYSA-N
Compound name
2,4-difluoro-5-nitropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

75
Patents

160.00844 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.01572 122.3
[M+Na]+ 182.99766 132.2
[M-H]- 159.00116 122.9
[M+NH4]+ 178.04226 141.3
[M+K]+ 198.97160 126.6
[M+H-H2O]+ 143.00570 119.3
[M+HCOO]- 205.00664 146.0
[M+CH3COO]- 219.02229 170.9
[M+Na-2H]- 180.98311 131.2
[M]+ 160.00789 118.7
[M]- 160.00899 118.7
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