CID 168022883

2-(2,2-difluoroethoxy)-5-ethynylpyridine

Structural Information

Molecular Formula
C9H7F2NO
SMILES
C#CC1=CN=C(C=C1)OCC(F)F
InChI
InChI=1S/C9H7F2NO/c1-2-7-3-4-9(12-5-7)13-6-8(10)11/h1,3-5,8H,6H2
InChIKey
HYPZJRCKMAYFGA-UHFFFAOYSA-N
Compound name
2-(2,2-difluoroethoxy)-5-ethynylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.04958 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.056856 130.4
[M+Na]+ 206.038798 140.6
[M-H]- 182.042304 128.6
[M+NH4]+ 201.083403 146.6
[M+K]+ 222.012738 137.2
[M+H-H2O]+ 166.046840 116.2
[M+HCOO]- 228.047781 145.4
[M+CH3COO]- 242.063431 189.8
[M+Na-2H]- 204.024246 135.0
[M]+ 183.04903142 123.6
[M]- 183.05012858 123.6
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

No patent data available for this compound.