CID 613718

5-nitro-2-(2,2,2-trifluoroethoxy)pyridine

Structural Information

Molecular Formula
C7H5F3N2O3
SMILES
C1=CC(=NC=C1[N+](=O)[O-])OCC(F)(F)F
InChI
InChI=1S/C7H5F3N2O3/c8-7(9,10)4-15-6-2-1-5(3-11-6)12(13)14/h1-3H,4H2
InChIKey
INIFPOGCBCXTPR-UHFFFAOYSA-N
Compound name
5-nitro-2-(2,2,2-trifluoroethoxy)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

222.02522 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.032496 137.7
[M+Na]+ 245.014438 146.3
[M-H]- 221.017944 136.7
[M+NH4]+ 240.059043 154.0
[M+K]+ 260.988378 140.6
[M+H-H2O]+ 205.022480 133.5
[M+HCOO]- 267.023421 158.4
[M+CH3COO]- 281.039071 180.3
[M+Na-2H]- 242.999886 146.9
[M]+ 222.02467142 134.0
[M]- 222.02576858 134.0
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