CID 165942513

2-(difluoromethoxy)-5-ethynylpyridine

Structural Information

Molecular Formula
C8H5F2NO
SMILES
C#CC1=CN=C(C=C1)OC(F)F
InChI
InChI=1S/C8H5F2NO/c1-2-6-3-4-7(11-5-6)12-8(9)10/h1,3-5,8H
InChIKey
UGHVENKEZRJLHO-UHFFFAOYSA-N
Compound name
2-(difluoromethoxy)-5-ethynylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.03392 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.041196 126.3
[M+Na]+ 192.023138 136.9
[M-H]- 168.026644 124.6
[M+NH4]+ 187.067743 143.1
[M+K]+ 207.997078 133.8
[M+H-H2O]+ 152.031180 112.3
[M+HCOO]- 214.032121 141.6
[M+CH3COO]- 228.047771 187.2
[M+Na-2H]- 190.008586 131.4
[M]+ 169.03337142 119.2
[M]- 169.03446858 119.2
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.