CID 53403752

2-(difluoromethoxy)-5-nitropyridine

Structural Information

Molecular Formula
C6H4F2N2O3
SMILES
C1=CC(=NC=C1[N+](=O)[O-])OC(F)F
InChI
InChI=1S/C6H4F2N2O3/c7-6(8)13-5-2-1-4(3-9-5)10(11)12/h1-3,6H
InChIKey
WLHADOSXRICWAB-UHFFFAOYSA-N
Compound name
2-(difluoromethoxy)-5-nitropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

114
Patents

190.019 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.02628 130.4
[M+Na]+ 213.00822 138.6
[M-H]- 189.01172 130.5
[M+NH4]+ 208.05282 147.7
[M+K]+ 228.98216 133.6
[M+H-H2O]+ 173.01626 126.7
[M+HCOO]- 235.01720 153.0
[M+CH3COO]- 249.03285 175.6
[M+Na-2H]- 210.99367 138.3
[M]+ 190.01845 127.4
[M]- 190.01955 127.4
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