CID 57485133

4-chloro-2-methoxy-3-nitropyridine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

187.99887 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.006146 132.4
[M+Na]+ 210.988088 142.1
[M-H]- 186.991594 135.3
[M+NH4]+ 206.032693 151.1
[M+K]+ 226.962028 135.9
[M+H-H2O]+ 170.996130 131.8
[M+HCOO]- 232.997071 153.5
[M+CH3COO]- 247.012721 174.4
[M+Na-2H]- 208.973536 141.3
[M]+ 187.99832142 134.7
[M]- 187.99941858 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