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

24
Patents

201.04015 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.04743 134.5
[M+Na]+ 224.02937 145.2
[M-H]- 200.03287 131.6
[M+NH4]+ 219.07397 150.2
[M+K]+ 240.00331 141.7
[M+H-H2O]+ 184.03741 119.9
[M+HCOO]- 246.03835 147.9
[M+CH3COO]- 260.05400 191.3
[M+Na-2H]- 222.01482 140.0
[M]+ 201.03960 126.6
[M]- 201.04070 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