CID 12275769

2,4,6-trifluoro-3-nitropyridine

Structural Information

Molecular Formula
C5HF3N2O2
SMILES
C1=C(C(=C(N=C1F)F)[N+](=O)[O-])F
InChI
InChI=1S/C5HF3N2O2/c6-2-1-3(7)9-5(8)4(2)10(11)12/h1H
InChIKey
MWMMJUHXDRVMJO-UHFFFAOYSA-N
Compound name
2,4,6-trifluoro-3-nitropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

177.99901 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.00629 124.2
[M+Na]+ 200.98823 135.1
[M-H]- 176.99173 123.8
[M+NH4]+ 196.03283 142.7
[M+K]+ 216.96217 129.0
[M+H-H2O]+ 160.99627 120.5
[M+HCOO]- 222.99721 146.9
[M+CH3COO]- 237.01286 174.9
[M+Na-2H]- 198.97368 131.9
[M]+ 177.99846 119.8
[M]- 177.99956 119.8
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