CID 44119673

2-chloro-4-methoxy-5-nitropyridine

Structural Information

Molecular Formula
C6H5ClN2O3
SMILES
COC1=CC(=NC=C1[N+](=O)[O-])Cl
InChI
InChI=1S/C6H5ClN2O3/c1-12-5-2-6(7)8-3-4(5)9(10)11/h2-3H,1H3
InChIKey
IDLQBYAYVNBGGL-UHFFFAOYSA-N
Compound name
2-chloro-4-methoxy-5-nitropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

244
Patents

187.99887 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.00615 132.4
[M+Na]+ 210.98809 142.1
[M-H]- 186.99159 135.3
[M+NH4]+ 206.03269 151.1
[M+K]+ 226.96203 135.9
[M+H-H2O]+ 170.99613 131.8
[M+HCOO]- 232.99707 153.5
[M+CH3COO]- 247.01272 174.4
[M+Na-2H]- 208.97354 141.3
[M]+ 187.99832 134.7
[M]- 187.99942 134.7
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