CID 1214439

353277-27-7

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

149
Patents

201.97813 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.98541 133.3
[M+Na]+ 224.96735 142.4
[M-H]- 200.97085 134.9
[M+NH4]+ 220.01195 150.5
[M+K]+ 240.94129 135.7
[M+H-H2O]+ 184.97539 133.0
[M+HCOO]- 246.97633 152.3
[M+CH3COO]- 260.99198 173.4
[M+Na-2H]- 222.95280 140.8
[M]+ 201.97758 133.8
[M]- 201.97868 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