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]+ 178.04743 129.9
[M+Na]+ 200.02937 138.9
[M-H]- 176.03287 128.4
[M+NH4]+ 195.07397 148.6
[M+K]+ 216.00331 137.0
[M+H-H2O]+ 160.03741 120.8
[M+HCOO]- 222.03835 149.8
[M+CH3COO]- 236.05400 180.2
[M+Na-2H]- 198.01482 135.5
[M]+ 177.03960 127.2
[M]- 177.04070 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.