CID 10773626

2-chloro-5-fluoro-3-nitropyridine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

429
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

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Patent stripe

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