CID 115371813

5-(2,2-difluoroethoxy)-2-fluoropyridine

Structural Information

Molecular Formula
C7H6F3NO
SMILES
C1=CC(=NC=C1OCC(F)F)F
InChI
InChI=1S/C7H6F3NO/c8-6(9)4-12-5-1-2-7(10)11-3-5/h1-3,6H,4H2
InChIKey
MBSBRKIKDJWCEY-UHFFFAOYSA-N
Compound name
5-(2,2-difluoroethoxy)-2-fluoropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.04015 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.047426 129.9
[M+Na]+ 200.029368 138.9
[M-H]- 176.032874 128.4
[M+NH4]+ 195.073973 148.6
[M+K]+ 216.003308 137.0
[M+H-H2O]+ 160.037410 120.8
[M+HCOO]- 222.038351 149.8
[M+CH3COO]- 236.054001 180.2
[M+Na-2H]- 198.014816 135.5
[M]+ 177.03960142 127.2
[M]- 177.04069858 127.2
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.