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

133
Patents

153.09538 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.10266 130.6
[M+Na]+ 176.08460 139.7
[M-H]- 152.08810 132.1
[M+NH4]+ 171.12920 151.1
[M+K]+ 192.05854 137.8
[M+H-H2O]+ 136.09264 124.2
[M+HCOO]- 198.09358 151.4
[M+CH3COO]- 212.10923 177.6
[M+Na-2H]- 174.07005 138.4
[M]+ 153.09483 129.8
[M]- 153.09593 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