CID 151622

60524-15-4

Structural Information

Molecular Formula
C6H4ClN3O3
SMILES
C1=C(C=NC(=C1C(=O)N)Cl)[N+](=O)[O-]
InChI
InChI=1S/C6H4ClN3O3/c7-5-4(6(8)11)1-3(2-9-5)10(12)13/h1-2H,(H2,8,11)
InChIKey
ISGBAOSZUCMBKK-UHFFFAOYSA-N
Compound name
2-chloro-5-nitropyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

200.99413 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.001406 135.1
[M+Na]+ 223.983348 143.9
[M-H]- 199.986854 137.5
[M+NH4]+ 219.027953 152.4
[M+K]+ 239.957288 137.1
[M+H-H2O]+ 183.991390 134.3
[M+HCOO]- 245.992331 155.8
[M+CH3COO]- 260.007981 178.0
[M+Na-2H]- 221.968796 142.2
[M]+ 200.99358142 134.3
[M]- 200.99467858 134.3
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