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]+ 202.00141 135.1
[M+Na]+ 223.98335 143.9
[M-H]- 199.98685 137.5
[M+NH4]+ 219.02795 152.4
[M+K]+ 239.95729 137.1
[M+H-H2O]+ 183.99139 134.3
[M+HCOO]- 245.99233 155.8
[M+CH3COO]- 260.00798 178.0
[M+Na-2H]- 221.96880 142.2
[M]+ 200.99358 134.3
[M]- 200.99468 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