CID 346459

6-chloro-5-nitropyridine-3-carboxylic acid

Structural Information

Molecular Formula
C6H3ClN2O4
SMILES
C1=C(C=NC(=C1[N+](=O)[O-])Cl)C(=O)O
InChI
InChI=1S/C6H3ClN2O4/c7-5-4(9(12)13)1-3(2-8-5)6(10)11/h1-2H,(H,10,11)
InChIKey
HCRHNMXCDNACMH-UHFFFAOYSA-N
Compound name
6-chloro-5-nitropyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

237
Patents

201.97813 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.985406 133.3
[M+Na]+ 224.967348 142.4
[M-H]- 200.970854 134.9
[M+NH4]+ 220.011953 150.5
[M+K]+ 240.941288 135.7
[M+H-H2O]+ 184.975390 133.0
[M+HCOO]- 246.976331 152.3
[M+CH3COO]- 260.991981 173.4
[M+Na-2H]- 222.952796 140.8
[M]+ 201.97758142 133.8
[M]- 201.97867858 133.8
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

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