CID 61229350

2-fluoro-6-(propan-2-yloxy)pyridine

Structural Information

Molecular Formula
C8H10FNO
SMILES
CC(C)OC1=NC(=CC=C1)F
InChI
InChI=1S/C8H10FNO/c1-6(2)11-8-5-3-4-7(9)10-8/h3-6H,1-2H3
InChIKey
JTFPFWKXGPELTL-UHFFFAOYSA-N
Compound name
2-fluoro-6-propan-2-yloxypyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

155.07465 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.081926 129.2
[M+Na]+ 178.063868 137.8
[M-H]- 154.067374 130.5
[M+NH4]+ 173.108473 149.1
[M+K]+ 194.037808 136.6
[M+H-H2O]+ 138.071910 122.1
[M+HCOO]- 200.072851 151.0
[M+CH3COO]- 214.088501 177.7
[M+Na-2H]- 176.049316 135.6
[M]+ 155.07410142 129.3
[M]- 155.07519858 129.3
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

patents stripe