CID 11423743

2,4-difluoro-3-nitropyridine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

82
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

literature stripe

Patent stripe

patents stripe