CID 2795029

2-chloro-6-methoxy-3-nitropyridine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1003
Patents

187.99887 Da
Monoisotopic Mass

1.9
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

literature stripe

Patent stripe

patents stripe