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

35
Patents

222.02522 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.03250 137.7
[M+Na]+ 245.01444 146.3
[M-H]- 221.01794 136.7
[M+NH4]+ 240.05904 154.0
[M+K]+ 260.98838 140.6
[M+H-H2O]+ 205.02248 133.5
[M+HCOO]- 267.02342 158.4
[M+CH3COO]- 281.03907 180.3
[M+Na-2H]- 242.99989 146.9
[M]+ 222.02467 134.0
[M]- 222.02577 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