CID 53903078

2-(prop-2-yn-1-yloxy)-6-(trifluoromethyl)pyridine

Structural Information

Molecular Formula
C9H6F3NO
SMILES
C#CCOC1=CC=CC(=N1)C(F)(F)F
InChI
InChI=1S/C9H6F3NO/c1-2-6-14-8-5-3-4-7(13-8)9(10,11)12/h1,3-5H,6H2
InChIKey
HYLSNLFNTIXREF-UHFFFAOYSA-N
Compound name
2-prop-2-ynoxy-6-(trifluoromethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

201.04015 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.047426 134.5
[M+Na]+ 224.029368 145.2
[M-H]- 200.032874 131.6
[M+NH4]+ 219.073973 150.2
[M+K]+ 240.003308 141.7
[M+H-H2O]+ 184.037410 119.9
[M+HCOO]- 246.038351 147.9
[M+CH3COO]- 260.054001 191.3
[M+Na-2H]- 222.014816 140.0
[M]+ 201.03960142 126.6
[M]- 201.04069858 126.6
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