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]+ 184.05686 130.4
[M+Na]+ 206.03880 140.6
[M-H]- 182.04230 128.6
[M+NH4]+ 201.08340 146.6
[M+K]+ 222.01274 137.2
[M+H-H2O]+ 166.04684 116.2
[M+HCOO]- 228.04778 145.4
[M+CH3COO]- 242.06343 189.8
[M+Na-2H]- 204.02425 135.0
[M]+ 183.04903 123.6
[M]- 183.05013 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.