CID 130848881

3-chloro-2-fluoro-5-nitropyridine

Structural Information

Molecular Formula
C5H2ClFN2O2
SMILES
C1=C(C=NC(=C1Cl)F)[N+](=O)[O-]
InChI
InChI=1S/C5H2ClFN2O2/c6-4-1-3(9(10)11)2-8-5(4)7/h1-2H
InChIKey
AEOGTIHVOKJMOS-UHFFFAOYSA-N
Compound name
3-chloro-2-fluoro-5-nitropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.97888 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.98616 126.4
[M+Na]+ 198.96810 136.7
[M-H]- 174.97160 127.9
[M+NH4]+ 194.01270 145.5
[M+K]+ 214.94204 129.8
[M+H-H2O]+ 158.97614 125.2
[M+HCOO]- 220.97708 146.5
[M+CH3COO]- 234.99273 172.0
[M+Na-2H]- 196.95355 135.2
[M]+ 175.97833 125.8
[M]- 175.97943 125.8
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

No patent data available for this compound.