CID 165942277

Tert-butyl 2-[(6-fluoropyridin-2-yl)oxy]acetate

Structural Information

Molecular Formula
C11H14FNO3
SMILES
CC(C)(C)OC(=O)COC1=NC(=CC=C1)F
InChI
InChI=1S/C11H14FNO3/c1-11(2,3)16-10(14)7-15-9-6-4-5-8(12)13-9/h4-6H,7H2,1-3H3
InChIKey
NRVBOOUTEBNTAG-UHFFFAOYSA-N
Compound name
tert-butyl 2-(6-fluoropyridin-2-yl)oxyacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.09576 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.10304 148.6
[M+Na]+ 250.08498 156.7
[M-H]- 226.08848 149.8
[M+NH4]+ 245.12958 165.7
[M+K]+ 266.05892 155.6
[M+H-H2O]+ 210.09302 141.2
[M+HCOO]- 272.09396 168.5
[M+CH3COO]- 286.10961 188.8
[M+Na-2H]- 248.07043 154.1
[M]+ 227.09521 151.4
[M]- 227.09631 151.4
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.