CID 14296366

4-tert-butyl-2-fluoropyridine

Structural Information

Molecular Formula
C9H12FN
SMILES
CC(C)(C)C1=CC(=NC=C1)F
InChI
InChI=1S/C9H12FN/c1-9(2,3)7-4-5-11-8(10)6-7/h4-6H,1-3H3
InChIKey
MRAIDGBWVXPHAL-UHFFFAOYSA-N
Compound name
4-tert-butyl-2-fluoropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

131
Patents

153.09538 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.102656 130.6
[M+Na]+ 176.084598 139.7
[M-H]- 152.088104 132.1
[M+NH4]+ 171.129203 151.1
[M+K]+ 192.058538 137.8
[M+H-H2O]+ 136.092640 124.2
[M+HCOO]- 198.093581 151.4
[M+CH3COO]- 212.109231 177.6
[M+Na-2H]- 174.070046 138.4
[M]+ 153.09483142 129.8
[M]- 153.09592858 129.8
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