CID 2775093

3-nitro-5-(trifluoromethyl)pyridin-2-ol

Structural Information

Molecular Formula
C6H3F3N2O3
SMILES
C1=C(C(=O)NC=C1C(F)(F)F)[N+](=O)[O-]
InChI
InChI=1S/C6H3F3N2O3/c7-6(8,9)3-1-4(11(13)14)5(12)10-2-3/h1-2H,(H,10,12)
InChIKey
JYXKHKBZLLIWEV-UHFFFAOYSA-N
Compound name
3-nitro-5-(trifluoromethyl)-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

321
Patents

208.00958 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.01686 131.6
[M+Na]+ 230.99880 141.4
[M-H]- 207.00230 129.7
[M+NH4]+ 226.04340 147.9
[M+K]+ 246.97274 134.4
[M+H-H2O]+ 191.00684 128.2
[M+HCOO]- 253.00778 151.3
[M+CH3COO]- 267.02343 174.5
[M+Na-2H]- 228.98425 140.2
[M]+ 208.00903 125.3
[M]- 208.01013 125.3
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