CID 155943408

2-chloro-6-(difluoromethoxy)-3-nitropyridine

Structural Information

Molecular Formula
C6H3ClF2N2O3
SMILES
C1=CC(=NC(=C1[N+](=O)[O-])Cl)OC(F)F
InChI
InChI=1S/C6H3ClF2N2O3/c7-5-3(11(12)13)1-2-4(10-5)14-6(8)9/h1-2,6H
InChIKey
YPYHJFNMPZYMFE-UHFFFAOYSA-N
Compound name
2-chloro-6-(difluoromethoxy)-3-nitropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.98003 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.98731 135.2
[M+Na]+ 246.96925 144.6
[M-H]- 222.97275 135.2
[M+NH4]+ 242.01385 152.2
[M+K]+ 262.94319 138.0
[M+H-H2O]+ 206.97729 132.7
[M+HCOO]- 268.97823 153.2
[M+CH3COO]- 282.99388 180.6
[M+Na-2H]- 244.95470 142.0
[M]+ 223.97948 134.7
[M]- 223.98058 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

No patent data available for this compound.