CID 12542664

2-chloro-5-nitronicotinic acid

Structural Information

Molecular Formula
C6H3ClN2O4
SMILES
C1=C(C=NC(=C1C(=O)O)Cl)[N+](=O)[O-]
InChI
InChI=1S/C6H3ClN2O4/c7-5-4(6(10)11)1-3(2-8-5)9(12)13/h1-2H,(H,10,11)
InChIKey
WOFZRBCITDVRON-UHFFFAOYSA-N
Compound name
2-chloro-5-nitropyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

211
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

No literature data available for this compound.

Patent stripe

patents stripe